4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate IUPAC Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyrate Formula: C13H13N2O3- MolecularWeight: 245.25392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c16-12(6-7-13(17)18)15-9-8-11(14-15)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18)/p-1