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

Systemtic Name: methyl 4-[(E)-[3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)propanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoylhydrazono]methyl]benzoate CAS Name: 4-[(E)-[[3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-oxopropyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoylhydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[3-(3-keto-5-methyl-3-pyrazolin-4-yl)propanoylhydrazono]methyl]benzoic acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CCC(=O)NN=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)NN1)CCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H18N4O4/c1-10-13(15(22)20-18-10)7-8-14(21)19-17-9-11-3-5-12(6-4-11)16(23)24-2/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H2,18,20,22)/b17-9+