1-phenylethyl 3-oxidanylidene-1H-pyrazole-2-carboxylate

Systemtic Name: 1-phenylethyl 3-oxidanylidene-1H-pyrazole-2-carboxylate Openeye Name: 1-phenylethyl 3-oxo-1H-pyrazole-2-carboxylate CAS Name: 3-oxo-1H-pyrazole-2-carboxylic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 3-oxo-1H-pyrazole-2-carboxylate Traditional Name: 5-keto-3-pyrazoline-1-carboxylic acid 1-phenylethyl ester Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)N2C(=O)C=CN2

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)N2C(=O)C=CN2

InChI

InChI=1S/C12H12N2O3/c1-9(10-5-3-2-4-6-10)17-12(16)14-11(15)7-8-13-14/h2-9,13H,1H3