[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-sulfamoyl-benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O7S/c1-10-6-7-12(8-14(10)28(18,25)26)17(22)27-9-15(21)19-16-11(2)4-3-5-13(16)20(23)24/h3-8H,9H2,1-2H3,(H,19,21)(H2,18,25,26)