This is a demo store. No orders will be fulfilled.
Nitrobenzoic acids and derivatives
Description:
Compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
-
Methyl 4-ethyl-3-nitrobenzoateCas Number: 51885-79-1Formula: C10H11NO4 Molecular Weight: 209.2SMILES: CCC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]InChIKey: YAGPCEXMZGXMLN-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO4/c1-3-7-4-5-8(10(12)15-2)6-9(7)11(13)14/h4-6H,3H2,1-2H3 -
Methyl 3-methoxy-4-(methylamino)-5-nitrobenzoateCas Number: 1549812-20-5 Compound CID: 86340167Formula: C10H12N2O5 Molecular Weight: 240.21IUPAC Name: methyl 3-methoxy-4-(methylamino)-5-nitrobenzoateSMILES: CNC1=C(C=C(C=C1OC)C(=O)OC)[N+](=O)[O-]InChIKey: YIRXEGUDDPQTBF-UHFFFAOYSA-NInChI: InChI=1S/C10H12N2O5/c1-11-9-7(12(14)15)4-6(10(13)17-3)5-8(9)16-2/h4-5,11H,1-3H3
-
Methyl 4-(3-chloropropoxy)-5-methoxy-2-nitrobenzoateCas Number: 214470-57-2 Compound CID: 23032992Formula: C12H14ClNO6 Molecular Weight: 303.69IUPAC Name: methyl 4-(3-chloropropoxy)-5-methoxy-2-nitrobenzoateSMILES: COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OCCCClInChIKey: UMBVDMOFTQTPPF-UHFFFAOYSA-NInChI: InChI=1S/C12H14ClNO6/c1-18-10-6-8(12(15)19-2)9(14(16)17)7-11(10)20-5-3-4-13/h6-7H,3-5H2,1-2H3
-
5-Chloro-2-methoxy-3-nitrobenzoic acidCas Number: 89894-14-4 Compound CID: 43449069Formula: C8H6ClNO5 Molecular Weight: 231.59IUPAC Name: 5-chloro-2-methoxy-3-nitrobenzoic acidSMILES: COC1=C(C=C(C=C1[N+](=O)[O-])Cl)C(=O)OInChIKey: BNPVOSZKWOIXHK-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClNO5/c1-15-7-5(8(11)12)2-4(9)3-6(7)10(13)14/h2-3H,1H3,(H,11,12)
-
2，6-Dinitroterephthalic acidCas Number: 69824-99-3 Compound CID: 277931Formula: C8H4N2O8 Molecular Weight: 256.13IUPAC Name: 2,6-dinitroterephthalic acidSMILES: C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)OInChIKey: DTFDTKLNTMAPQO-UHFFFAOYSA-NInChI: InChI=1S/C8H4N2O8/c11-7(12)3-1-4(9(15)16)6(8(13)14)5(2-3)10(17)18/h1-2H,(H,11,12)(H,13,14)
-
(R)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoateCas Number: 106268-96-6 Compound CID: 13779866Formula: C11H11NO5 Molecular Weight: 237.21IUPAC Name: [(2R)-2-methyloxiran-2-yl]methyl 4-nitrobenzoateSMILES: CC1(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]InChIKey: PUBTVFBOTFDPTA-NSHDSACASA-NInChI: InChI=1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m0/s1
-
4-Isopropyl-2-nitrobenzoic acidCas Number: 35480-95-6Formula: C10H11NO4 Molecular Weight: 209.20SMILES: CC(C)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]InChIKey: LMEMHNYHGJJMEK-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO4/c1-6(2)7-3-4-8(10(12)13)9(5-7)11(14)15/h3-6H,1-2H3,(H,12,13)
-
4-Chloro-5-fluoro-2-nitrobenzoic acidFormula: C7H3ClFNO4 Molecular Weight: 219.55IUPAC Name: 4-chloro-5-fluoro-2-nitrobenzoic acidSMILES: C1=C(C(=CC(=C1F)Cl)[N+](=O)[O-])C(=O)OInChIKey: GGTQVIUWLUDQKR-UHFFFAOYSA-NInChI: InChI=1S/C7H3ClFNO4/c8-4-2-6(10(13)14)3(7(11)12)1-5(4)9/h1-2H,(H,11,12)
-
4-Chloro-3-nitro-5-sulfamoylbenzoic acidFormula: C7H5ClN2O6S Molecular Weight: 280.64IUPAC Name: 4-chloro-3-nitro-5-sulfamoylbenzoic acidSMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)OInChIKey: ACYLUAGCBGTEJF-UHFFFAOYSA-NInChI: InChI=1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)
-
5,5′-Dithio-bis-(2-nitrobenzoic Acid)Cas Number: 69-78-3 EC Number: 200-714-4Formula: C14H8N2O8S2 Molecular Weight: 396.35IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acidSMILES: C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]InChIKey: KIUMMUBSPKGMOY-UHFFFAOYSA-NInChI: InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
-
Methyl 4-(bromomethyl)-3-nitrobenzoateCas Number: 88089-94-5 Compound CID: 13399987Formula: C9H8NO4Br Molecular Weight: 274.06IUPAC Name: methyl 4-(bromomethyl)-3-nitrobenzoateSMILES: COC(=O)C1=CC(=C(C=C1)CBr)[N+](=O)[O-]InChIKey: HYGYRBBZOHUETE-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrNO4/c1-15-9(12)6-2-3-7(5-10)8(4-6)11(13)14/h2-4H,5H2,1H3
-
Ethyl 4-(cyclohexylamino)-3-nitrobenzoateCas Number: 87815-77-8 Compound CID: 5298559Formula: C15H20N2O4 Molecular Weight: 292.33IUPAC Name: ethyl 4-(cyclohexylamino)-3-nitrobenzoateSMILES: CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)[N+](=O)[O-]InChIKey: PALYDABJRIWMKF-UHFFFAOYSA-NInChI: InChI=1S/C15H20N2O4/c1-2-21-15(18)11-8-9-13(14(10-11)17(19)20)16-12-6-4-3-5-7-12/h8-10,12,16H,2-7H2,1H3
