[2-methoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(E)-(isonicotinoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H16N4O7S MolecularWeight: 456.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O7S/c1-30-18-12-14(13-22-23-20(25)15-8-10-21-11-9-15)6-7-17(18)31-32(28,29)19-5-3-2-4-16(19)24(26)27/h2-13H,1H3,(H,23,25)/b22-13+