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

Systemtic Name: [4-[(phenylmethyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(benzylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-(benzylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(benzylcarbamoyl)phenyl] ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O6S/c1-15-7-10-18(23(25)26)13-20(15)30(27,28)29-19-11-8-17(9-12-19)21(24)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)