[4-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(3-chloro-4-methoxy-phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(3-chloro-4-methoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[(3-chloro-4-methoxy-phenyl)carbamoyl]phenyl] ester Formula: C21H17ClN2O7S MolecularWeight: 476.88688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H17ClN2O7S/c1-13-3-7-16(24(26)27)12-20(13)32(28,29)31-17-8-4-14(5-9-17)21(25)23-15-6-10-19(30-2)18(22)11-15/h3-12H,1-2H3,(H,23,25)