[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H21N3O7S/c1-12-9-16(17(22(25)26)10-13(12)2)20-18(23)11-29-19(24)14-5-7-15(8-6-14)30(27,28)21(3)4/h5-10H,11H2,1-4H3,(H,20,23)