[3-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 2-methoxybenzoate

Systemtic Name: [3-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 2-methoxybenzoate Openeye Name: [3-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [3-[(E)-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [3-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] ester Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)C=NNC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6/c1-30-18-8-3-2-7-17(18)20(27)31-16-6-4-5-14(9-16)10-21-23-19(26)13-24-12-15(11-22-24)25(28)29/h2-12H,13H2,1H3,(H,23,26)/b21-10+