[5-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-chloranyl-3-nitro-phenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-chloro-3-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-chloro-3-nitrobenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-chloro-3-nitro-benzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H21ClN2O8S MolecularWeight: 472.89664

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O8S/c1-28-9-8-21(19(23)14-5-6-15(20)16(11-14)22(24)25)12-13-4-7-17(29-2)18(10-13)30-31(3,26)27/h4-7,10-11H,8-9,12H2,1-3H3