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

Systemtic Name: 4-[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(4-bromophenyl)-5-(2,5-dimethoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O5/c1-28-15-7-8-19(29-2)16(11-15)18-12-17(13-3-5-14(22)6-4-13)23-24(18)20(25)9-10-21(26)27/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,27)