[2-[(phenylmethyl)carbamoyl]phenyl] 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: [2-[(phenylmethyl)carbamoyl]phenyl] 2-methoxy-5-nitro-benzenesulfonate Openeye Name: [2-(benzylcarbamoyl)phenyl] 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid [2-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-(benzylcarbamoyl)phenyl] 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid [2-(benzylcarbamoyl)phenyl] ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O7S/c1-29-19-12-11-16(23(25)26)13-20(19)31(27,28)30-18-10-6-5-9-17(18)21(24)22-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,24)