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

Systemtic Name: [2-[(E)-[(3-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-[(E)-[[(3-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]phenyl] ester Formula: C20H14ClN3O6S MolecularWeight: 459.85966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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