[4-[(4-cyanophenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-cyanophenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-cyanophenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-cyanoanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-cyanophenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-cyanophenyl)carbamoyl]phenyl] ester Formula: C20H13N3O6S MolecularWeight: 423.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O6S/c21-13-14-4-8-16(9-5-14)22-20(24)15-6-10-18(11-7-15)29-30(27,28)19-3-1-2-17(12-19)23(25)26/h1-12H,(H,22,24)