[4-[(E)-[(4-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(E)-[(4-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(E)-[(4-chlorobenzoyl)hydrazono]methyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(E)-[[(4-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(E)-[(4-chlorobenzoyl)hydrazono]methyl]phenyl] ester Formula: C20H14ClN3O6S MolecularWeight: 459.85966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O6S/c21-16-8-6-15(7-9-16)20(25)23-22-13-14-4-10-18(11-5-14)30-31(28,29)19-3-1-2-17(12-19)24(26)27/h1-13H,(H,23,25)/b22-13+