methyl 4-[(E)-[2-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[2-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[2-(5-oxo-1,4-dihydropyrazol-3-yl)acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[1-oxo-2-(5-oxo-1,4-dihydropyrazol-3-yl)ethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[2-(5-oxo-1,4-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(5-keto-2-pyrazolin-3-yl)acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)CC2=NNC(=O)C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CC2=NNC(=O)C2

InChI

InChI=1S/C14H14N4O4/c1-22-14(21)10-4-2-9(3-5-10)8-15-17-12(19)6-11-7-13(20)18-16-11/h2-5,8H,6-7H2,1H3,(H,17,19)(H,18,20)/b15-8+