ethyl 3-oxidanylidene-5-(phenylmethyl)-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-oxidanylidene-5-(phenylmethyl)-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-benzyl-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-oxo-5-(phenylmethyl)-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-benzyl-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NNC1=O)CC2=CC=CC=C2

InChI

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