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

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C20H22ClN3O7S MolecularWeight: 483.92258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O7S/c1-12-15(6-5-7-16(12)24(27)28)22-18(25)11-31-19(26)13-8-9-14(21)17(10-13)32(29,30)23-20(2,3)4/h5-10,23H,11H2,1-4H3,(H,22,25)