methyl 2-[[3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]carbonylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]carbonylsulfamoyl]benzoate Openeye Name: methyl 2-[[3-(4-nitrophenyl)-3,4-dihydropyrazole-2-carbonyl]sulfamoyl]benzoate CAS Name: 2-[[[3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-nitrophenyl)-3,4-dihydropyrazole-2-carbonyl]sulfamoyl]benzoate Traditional Name: 2-[[5-(4-nitrophenyl)-2-pyrazoline-1-carbonyl]sulfamoyl]benzoic acid methyl ester Formula: C18H16N4O7S MolecularWeight: 432.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7S/c1-29-17(23)14-4-2-3-5-16(14)30(27,28)20-18(24)21-15(10-11-19-21)12-6-8-13(9-7-12)22(25)26/h2-9,11,15H,10H2,1H3,(H,20,24)