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

Systemtic Name: [5-[[(2-chloranyl-4-nitro-phenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(2-chloro-4-nitro-benzoyl)-(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2-chloro-4-nitrophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-chloro-4-nitrobenzoyl)-(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2-chloro-4-nitro-benzoyl)-(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H19ClN2O8S MolecularWeight: 494.90216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OS(=O)(=O)C

InChI

InChI=1S/C21H19ClN2O8S/c1-30-19-8-5-14(10-20(19)32-33(2,28)29)12-23(13-16-4-3-9-31-16)21(25)17-7-6-15(24(26)27)11-18(17)22/h3-11H,12-13H2,1-2H3