[2-chloranyl-6-methoxy-4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [2-chloranyl-6-methoxy-4-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [2-chloro-6-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-chloro-6-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H16ClN3O7S MolecularWeight: 489.88564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16ClN3O7S/c1-31-19-11-14(13-23-24-21(26)15-6-5-7-16(12-15)25(27)28)10-18(22)20(19)32-33(29,30)17-8-3-2-4-9-17/h2-13H,1H3,(H,24,26)/b23-13+