methyl 4-[(E)-[(5-oxidanylidene-1,4-dihydropyrazol-4-yl)carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(5-oxidanylidene-1,4-dihydropyrazol-4-yl)carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[(5-oxo-1,4-dihydropyrazole-4-carbonyl)hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[oxo-(5-oxo-1,4-dihydropyrazol-4-yl)methyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(5-oxo-1,4-dihydropyrazole-4-carbonyl)hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[(3-keto-2-pyrazoline-4-carbonyl)hydrazono]methyl]benzoic acid methyl ester Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2C=NNC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2C=NNC2=O

InChI

InChI=1S/C13H12N4O4/c1-21-13(20)9-4-2-8(3-5-9)6-14-16-11(18)10-7-15-17-12(10)19/h2-7,10H,1H3,(H,16,18)(H,17,19)/b14-6+