[3-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-chloro-3-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-chloro-3-nitrobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-chloro-3-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H21ClN2O7S MolecularWeight: 456.89724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O7S/c1-3-30(26,27)29-16-6-4-5-14(11-16)13-21(9-10-28-2)19(23)15-7-8-17(20)18(12-15)22(24)25/h4-8,11-12H,3,9-10,13H2,1-2H3