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

Systemtic Name: [2-methoxy-6-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [2-methoxy-6-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-methoxy-6-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-6-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-methoxy-6-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7S/c1-30-19-12-6-8-16(20(19)31-32(28,29)18-10-3-2-4-11-18)14-22-23-21(25)15-7-5-9-17(13-15)24(26)27/h2-14H,1H3,(H,23,25)/b22-14+