[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C15H12ClN3O7S MolecularWeight: 413.78968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)N

InChI

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