[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-(dimethylsulfamoyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(dimethylsulfamoyl)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7S/c1-11-4-5-12(8-16(11)22(25)26)20-17(23)10-29-18(24)14-9-13(6-7-15(14)19)30(27,28)21(2)3/h4-9H,10H2,1-3H3,(H,20,23)