[3-[[furan-2-ylmethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-(4-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-nitrobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl-(4-nitrobenzoyl)amino]methyl]phenyl] ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7S/c1-2-31(27,28)30-19-6-3-5-16(13-19)14-22(15-20-7-4-12-29-20)21(24)17-8-10-18(11-9-17)23(25)26/h3-13H,2,14-15H2,1H3