[2-methoxy-5-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [2-methoxy-5-[(E)-[(3-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-methoxy-5-[(E)-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-methoxy-5-[(E)-[(3-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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