ethyl 2-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanoate Openeye Name: ethyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate CAS Name: 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate Traditional Name: 2-(5-keto-1-phenyl-2-pyrazolin-3-yl)acetic acid ethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C1)C2=CC=CC=C2

InChI

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