4-[[4-[(3-nitrophenyl)carbamoylamino]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[4-[(3-nitrophenyl)carbamoylamino]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[4-[(3-nitrophenyl)carbamoylamino]phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[4-[[(3-nitroanilino)-oxomethyl]amino]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[4-[(3-nitrophenyl)carbamoylamino]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-[(3-nitrophenyl)carbamoylamino]phenyl]sulfamoyl]benzoic acid Formula: C20H16N4O7S MolecularWeight: 456.42864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16N4O7S/c25-19(26)13-4-10-18(11-5-13)32(30,31)23-15-8-6-14(7-9-15)21-20(27)22-16-2-1-3-17(12-16)24(28)29/h1-12,23H,(H,25,26)(H2,21,22,27)