[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H14ClN3O7S MolecularWeight: 427.81626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H14ClN3O7S/c1-9(15(21)19-10-3-2-4-11(7-10)20(23)24)27-16(22)13-8-12(28(18,25)26)5-6-14(13)17/h2-9H,1H3,(H,19,21)(H2,18,25,26)