4-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H18BrN2O4- MolecularWeight: 430.27192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br

InChI

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