[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C15H12ClN3O7S MolecularWeight: 413.78968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C15H12ClN3O7S/c16-12-5-4-9(6-13(12)27(17,24)25)15(21)26-8-14(20)18-10-2-1-3-11(7-10)19(22)23/h1-7H,8H2,(H,18,20)(H2,17,24,25)