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

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 4-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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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)S(=O)(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O7S/c1-16-7-6-10-20(26(29)30)22(16)24-21(27)15-33-23(28)17-11-13-19(14-12-17)34(31,32)25(2)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27)