[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 4-(tert-butylsulfamoyl)benzoate CAS Name: 4-(tert-butylsulfamoyl)benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate Traditional Name: 4-(tert-butylsulfamoyl)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-13-5-10-16(17(11-13)23(26)27)21-18(24)12-30-19(25)14-6-8-15(9-7-14)31(28,29)22-20(2,3)4/h5-11,22H,12H2,1-4H3,(H,21,24)