methyl 4-[1-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)ethyl]benzoate

Systemtic Name: methyl 4-[1-(5-oxidanylidene-1,4-dihydropyrazol-3-yl)ethyl]benzoate Openeye Name: methyl 4-[1-(5-oxo-1,4-dihydropyrazol-3-yl)ethyl]benzoate CAS Name: 4-[1-(5-oxo-1,4-dihydropyrazol-3-yl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(5-oxo-1,4-dihydropyrazol-3-yl)ethyl]benzoate Traditional Name: 4-[1-(5-keto-2-pyrazolin-3-yl)ethyl]benzoic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=O)C1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C1=NNC(=O)C1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H14N2O3/c1-8(11-7-12(16)15-14-11)9-3-5-10(6-4-9)13(17)18-2/h3-6,8H,7H2,1-2H3,(H,15,16)