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

Systemtic Name: [5-[[furan-2-ylmethyl-(4-nitrophenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl-(4-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(4-nitrobenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl-(4-nitrobenzoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O8S/c1-29-19-10-5-15(12-20(19)31-32(2,27)28)13-22(14-18-4-3-11-30-18)21(24)16-6-8-17(9-7-16)23(25)26/h3-12H,13-14H2,1-2H3