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

Systemtic Name: [4-(phenylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(phenylcarbamoyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[anilino(oxo)methyl]phenyl] ester IUPAC Name: [4-(phenylcarbamoyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(phenylcarbamoyl)phenyl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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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)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O6S/c1-14-7-10-17(22(24)25)13-19(14)29(26,27)28-18-11-8-15(9-12-18)20(23)21-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23)