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Acylaminobenzoic acid and derivatives

Description:

Derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
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Items 1-12 of 167

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  1. Methyl N-formylanthranilate
      Grade & Purity: 
    • ≥95%
    Cas Number: 41270-80-8        Compound CID:  162458
    Formula:  C9H9NO3        Molecular Weight: 179.17
    IUPAC Name:  methyl 2-formamidobenzoate
    SMILES:  COC(=O)C1=CC=CC=C1NC=O
    InChIKey: HRNPZFOYXWWMFL-UHFFFAOYSA-N
    InChI:  InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-6H,1H3,(H,10,11)
  2. ethyl 4-acrylamidobenzoate
      Grade & Purity: 
    • ≥95%
    Cas Number: 14745-58-5
    Formula:  C12H13NO3        Molecular Weight: 219.24
    SMILES:  CCOC(=O)C1=CC=C(C=C1)NC(=O)C=C
    InChIKey: WPLURKJQMNROKG-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H13NO3/c1-3-11(14)13-10-7-5-9(6-8-10)12(15)16-4-2/h3,5-8H,1,4H2,2H3,(H,13,14)
  3. N-Desmethyl Iomeprol
      Grade & Purity: 
    • ≥98%
    Cas Number: 77868-40-7        Compound CID:  10908853
    Formula:  C16H20I3N3O8        Molecular Weight: 763.06
    IUPAC Name:  1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
    SMILES:  C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(CO)O)I
    InChIKey: ZPJJDGLVOWPGAN-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-1-6(26)3-23)12(18)14(22-8(28)5-25)13(19)10(11)16(30)21-2-7(27)4-24/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,2show more
  4. Methyl 2-(2-(diethylamino)acetamido)-3-methylbenzoate
      Grade & Purity: 
    • ≥95%
    Cas Number: 3686-58-6        EC Number: 222-976-9        Compound CID:  72137
    Formula:  C15H22N2O3        Molecular Weight: 278.35
    IUPAC Name:  methyl 2-[[2-(diethylamino)acetyl]amino]-3-methylbenzoate
    SMILES:  CCN(CC)CC(=O)NC1=C(C=CC=C1C(=O)OC)C
    InChIKey: UDKICLZCJWQTLS-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H22N2O3/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4/h7-9H,5-6,10H2,1-4H3,(H,16,18)
  5. 3-(acetylamino)-5-methoxybenzoic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 78238-03-6        Compound CID:  4576741
    Formula:  C10H11NO4        Molecular Weight: 209.2
    IUPAC Name:  3-acetamido-5-methoxybenzoic acid
    SMILES:  CC(=O)NC1=CC(=CC(=C1)C(=O)O)OC
    InChIKey: CUTDJCLTOMWNGD-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H11NO4/c1-6(12)11-8-3-7(10(13)14)4-9(5-8)15-2/h3-5H,1-2H3,(H,11,12)(H,13,14)
  6. 3-((2S,4S)-4-Mercapto-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidine-2-carboxamido)benzoic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 202467-69-4        Compound CID:  15409260
    Formula:  C20H19N3O7S        Molecular Weight: 445.45
    IUPAC Name:  3-[[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid
    SMILES:  C1C(CN(C1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S
    InChIKey: RTQKWWOSWDCUMA-IRXDYDNUSA-N
    InChI:  InChI=1S/C20H19N3O7S/c24-18(21-14-3-1-2-13(8-14)19(25)26)17-9-16(31)10-22(17)20(27)30-11-12-4-6-15(7-5-12)23(28)29/h1-8,16-17,31H,9-11H2,(H,21,24)(H,2show more
  7. Methyl4-acetamido-5-chloro-2-ethoxybenzoate
      Grade & Purity: 
    • ≥98%
    Cas Number: 4235-43-2        Compound CID:  10516296
    Formula:  C12H14ClNO4        Molecular Weight: 271.7
    IUPAC Name:  methyl 4-acetamido-5-chloro-2-ethoxybenzoate
    SMILES:  CCOC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)C
    InChIKey: RPOGJJLTBMSAKR-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H14ClNO4/c1-4-18-11-6-10(14-7(2)15)9(13)5-8(11)12(16)17-3/h5-6H,4H2,1-3H3,(H,14,15)
  8. Methyl 3-acetamidobenzoate
      Grade & Purity: 
    • ≥97%
    Cas Number: 52189-36-3        Compound CID:  592170
    Formula:  C10H11NO3        Molecular Weight: 193.2
    IUPAC Name:  methyl 3-acetamidobenzoate
    SMILES:  CC(=O)NC1=CC=CC(=C1)C(=O)OC
    InChIKey: BMBOHBXLLAKPHP-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-4-8(6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
  9. 3-(2-Oxopyrrolidin-1-yl)benzoic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 515813-05-5        Compound CID:  3240794
    Formula:  C11H11NO3        Molecular Weight: 205.22
    IUPAC Name:  3-(2-oxopyrrolidin-1-yl)benzoic acid
    SMILES:  C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)O
    InChIKey: QESXXFDZRITHKE-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H11NO3/c13-10-5-2-6-12(10)9-4-1-3-8(7-9)11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)
  10. 3-(2-Methoxyacetamido)Benzoic Acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 889940-48-1        Compound CID:  9078970
    IUPAC Name:  3-[(2-methoxyacetyl)amino]benzoic acid
    SMILES:  COCC(=O)NC1=CC=CC(=C1)C(=O)O
    InChIKey: XSGXNDNGNUTXRH-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H11NO4/c1-15-6-9(12)11-8-4-2-3-7(5-8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
  11. N1,N3-Bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide
      Grade & Purity: 
    • ≥98%
    Cas Number: 60208-45-9
    Formula:  C17H24I3N3O7        Molecular Weight: 763.11
    IUPAC Name:  1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodobenzene-1,3-dicarboxamide
    SMILES:  CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O
    InChIKey: XQZXYNRDCRIARQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)show more
  12. Ethyl 3-(2-chloroacetamido)benzoate
      Grade & Purity: 
    • ≥95%
    Cas Number: 58915-19-8        Compound CID:  398528
    Formula:  C11H12ClNO3        Molecular Weight: 241.68
    IUPAC Name:  ethyl 3-[(2-chloroacetyl)amino]benzoate
    SMILES:  CCOC(=O)C1=CC(=CC=C1)NC(=O)CCl
    InChIKey: GWRKWJKNWBWCPD-UHFFFAOYSA-N
    InChI:  InChI=1S/C11H12ClNO3/c1-2-16-11(15)8-4-3-5-9(6-8)13-10(14)7-12/h3-6H,2,7H2,1H3,(H,13,14)
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