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Allyl-type 1,3-dipolar organic compounds
Description:
Organic 1,3-dipolar compounds with the general structure X=Y+-Z- <-> X--Y+=Z<-> X+-Y-Z-<-> X-=Y-Z+ (X, Z = C, N, or O; Y = N or O).
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1，1-dimethoxy-3-nitropropaneCas Number: 72447-81-5 Compound CID: 4913072Formula: C5H11NO4 Molecular Weight: 149.15IUPAC Name: 1,1-dimethoxy-3-nitropropaneSMILES: COC(CC[N+](=O)[O-])OCInChIKey: MOKDVDXMMSCFHC-UHFFFAOYSA-NInChI: InChI=1S/C5H11NO4/c1-9-5(10-2)3-4-6(7)8/h5H,3-4H2,1-2H3 -
1-(tert-Butyl)-4-nitro-1H-pyrazoleCas Number: 97421-12-0 Compound CID: 11355708Formula: C7H11N3O2 Molecular Weight: 169.184IUPAC Name: 1-tert-butyl-4-nitropyrazoleSMILES: CC(C)(C)N1C=C(C=N1)[N+](=O)[O-]InChIKey: FPKZTRHYFSEGRN-UHFFFAOYSA-NInChI: InChI=1S/C7H11N3O2/c1-7(2,3)9-5-6(4-8-9)10(11)12/h4-5H,1-3H3
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1,3,5-Trimethyl-4-nitro-1h-pyrazoleCas Number: 1125-30-0 Compound CID: 121019Formula: C6H9N3O2 Molecular Weight: 155.16IUPAC Name: 1,3,5-trimethyl-4-nitropyrazoleSMILES: CC1=C(C(=NN1C)C)[N+](=O)[O-]InChIKey: YSZYFGMARJFMJK-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3O2/c1-4-6(9(10)11)5(2)8(3)7-4/h1-3H3
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Ethyl 2-(3-nitropyridin-2-yl)acetateCas Number: 154078-83-8 Compound CID: 10104538Formula: C9H10N2O4 Molecular Weight: 210.19IUPAC Name: ethyl 2-(3-nitropyridin-2-yl)acetateSMILES: CCOC(=O)CC1=C(C=CC=N1)[N+](=O)[O-]InChIKey: IAWFTQPIKKGISQ-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O4/c1-2-15-9(12)6-7-8(11(13)14)4-3-5-10-7/h3-5H,2,6H2,1H3
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Ethyl 2-(3-nitropyridin-4-yl)acetateIUPAC Name: ethyl 2-(3-nitropyridin-4-yl)acetateSMILES: CCOC(=O)CC1=C(C=NC=C1)[N+](=O)[O-]InChIKey: XNSRNWVUBGIIAW-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O4/c1-2-15-9(12)5-7-3-4-10-6-8(7)11(13)14/h3-4,6H,2,5H2,1H3
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Azido-PEG1-azideCas Number: 24345-74-2 Compound CID: 10796994Formula: C4H8N6O Molecular Weight: 156.15IUPAC Name: 1-azido-2-(2-azidoethoxy)ethaneSMILES: C(COCCN=[N+]=[N-])N=[N+]=[N-]InChIKey: NQEPBRYUGPSVPU-UHFFFAOYSA-NInChI: InChI=1S/C4H8N6O/c5-9-7-1-3-11-4-2-8-10-6/h1-4H2
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7-Nitro-3，4-dihydro-2H-1，5-benzodioxepineCas Number: 78288-94-5 Compound CID: 5214498Formula: C9H9NO4 Molecular Weight: 195.17IUPAC Name: 7-nitro-3,4-dihydro-2H-1,5-benzodioxepineSMILES: C1COC2=C(C=C(C=C2)[N+](=O)[O-])OC1InChIKey: DYLOYOGDBJZJDV-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
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6-Methyl-5-nitropyridine-2-methanolCas Number: 13603-40-2 Compound CID: 24776197Formula: C7H8N2O3 Molecular Weight: 168.15IUPAC Name: (6-methyl-5-nitropyridin-2-yl)methanolSMILES: CC1=C(C=CC(=N1)CO)[N+](=O)[O-]InChIKey: YVGKDKNNONDERG-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O3/c1-5-7(9(11)12)3-2-6(4-10)8-5/h2-3,10H,4H2,1H3
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6-Methoxy-3-nitro-2-(trifluoromethyl)pyridineCas Number: 727993-33-1 Compound CID: 28242358Formula: C7H5F3N2O3 Molecular Weight: 222.12IUPAC Name: 6-methoxy-3-nitro-2-(trifluoromethyl)pyridineSMILES: COC1=NC(=C(C=C1)[N+](=O)[O-])C(F)(F)FInChIKey: FWMQACOAQFSACZ-UHFFFAOYSA-NInChI: InChI=1S/C7H5F3N2O3/c1-15-5-3-2-4(12(13)14)6(11-5)7(8,9)10/h2-3H,1H3
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6-Chloro-5-methyl-3-nitropyridin-2-amineCas Number: 202217-19-4 Compound CID: 21837379Formula: C6H6ClN3O2 Molecular Weight: 187.58IUPAC Name: 6-chloro-5-methyl-3-nitropyridin-2-amineSMILES: CC1=CC(=C(N=C1Cl)N)[N+](=O)[O-]InChIKey: VXAQCLXAYGVVBB-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClN3O2/c1-3-2-4(10(11)12)6(8)9-5(3)7/h2H,1H3,(H2,8,9)
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5-Fluoro-3-nitropicolinonitrileCas Number: 1033202-51-5 Compound CID: 55265482Formula: C6H2FN3O2 Molecular Weight: 167.1IUPAC Name: 5-fluoro-3-nitropyridine-2-carbonitrileSMILES: C1=C(C=NC(=C1[N+](=O)[O-])C#N)FInChIKey: MRYPOWLVSCEADY-UHFFFAOYSA-NInChI: InChI=1S/C6H2FN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H
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5-Chloro-4-methyl-3-nitropyridin-2-amineCas Number: 148612-17-3 Compound CID: 21464136Formula: C6H6ClN3O2 Molecular Weight: 187.58IUPAC Name: 5-chloro-4-methyl-3-nitropyridin-2-amineSMILES: CC1=C(C(=NC=C1Cl)N)[N+](=O)[O-]InChIKey: LLWKTQALVZANCU-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)
