4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-phenyl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C19H17BrN2O3 MolecularWeight: 401.25388

Click to see the large picture

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

C1C(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)