4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3,5-diphenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H17N2O3- MolecularWeight: 321.34988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3/c22-18(11-12-19(23)24)21-17(15-9-5-2-6-10-15)13-16(20-21)14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,23,24)/p-1/t17-/m0/s1