4-[(3S)-3-(4-chlorophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(4-chlorophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-chlorophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-chlorophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-chlorophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-chlorophenyl)-3-phenyl-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H16ClN2O3- MolecularWeight: 355.79494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O3/c20-15-8-6-14(7-9-15)17-12-16(13-4-2-1-3-5-13)21-22(17)18(23)10-11-19(24)25/h1-9,12,17,21H,10-11H2,(H,24,25)/p-1/t17-/m0/s1