4-[3-(4-bromophenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-bromophenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-bromophenyl)-5-(p-tolyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(4-bromophenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-bromophenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-bromophenyl)-3-(p-tolyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c1-13-2-4-14(5-3-13)17-12-18(15-6-8-16(21)9-7-15)23(22-17)19(24)10-11-20(25)26/h2-9,12,18,22H,10-11H2,1H3,(H,25,26)