[4-[furan-2-ylmethyl(methyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[furan-2-ylmethyl(methyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-furylmethyl(methyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-furanylmethyl(methyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[furan-2-ylmethyl(methyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-furfuryl(methyl)carbamoyl]phenyl] ester Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7S/c1-20(13-17-5-3-11-27-17)19(22)14-7-9-16(10-8-14)28-29(25,26)18-6-2-4-15(12-18)21(23)24/h2-12H,13H2,1H3