ethyl 5-oxidanylidene-2-(phenylmethyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-2-(phenylmethyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-benzyl-5-oxo-1H-pyrazole-4-carboxylate CAS Name: 5-oxo-2-(phenylmethyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-oxo-1H-pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-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=CN(NC1=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(NC1=O)CC2=CC=CC=C2

InChI

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