[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 3-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S/c1-10(26-16(21)11-3-2-4-13(9-11)19(22)23)15(20)18-12-5-7-14(8-6-12)27(17,24)25/h2-10H,1H3,(H,18,20)(H2,17,24,25)