[2-methoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(isonicotinoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O6/c1-30-19-11-14(13-23-24-20(26)15-7-9-22-10-8-15)5-6-18(19)31-21(27)16-3-2-4-17(12-16)25(28)29/h2-13H,1H3,(H,24,26)/b23-13+