2-[[1-(4-bromophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid

Systemtic Name: 2-[[1-(4-bromophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-bromophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-bromophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-bromophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyl]-3-(4-cyanophenyl)acrylic acid Formula: C23H20BrN3O3 MolecularWeight: 466.3272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C#N)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C#N)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H20BrN3O3/c1-2-3-21-20(22(28)27(26-21)19-10-8-18(24)9-11-19)13-17(23(29)30)12-15-4-6-16(14-25)7-5-15/h4-12,20H,2-3,13H2,1H3,(H,29,30)