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

Systemtic Name: 4-[(3S)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(4-bromophenyl)-5-phenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H16BrN2O3- MolecularWeight: 400.24594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O3/c20-15-8-6-13(7-9-15)16-12-17(14-4-2-1-3-5-14)22(21-16)18(23)10-11-19(24)25/h1-9,17H,10-12H2,(H,24,25)/p-1/t17-/m0/s1