[1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C16H16N4O7S MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O7S/c1-9(15(21)19-10-3-2-4-12(7-10)28(18,25)26)27-16(22)13-8-11(20(23)24)5-6-14(13)17/h2-9H,17H2,1H3,(H,19,21)(H2,18,25,26)