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

Systemtic Name: 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C20H19BrN2O4/c1-27-18-5-3-2-4-15(18)16-12-17(13-6-8-14(21)9-7-13)23(22-16)19(24)10-11-20(25)26/h2-9,17H,10-12H2,1H3,(H,25,26)