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

Systemtic Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-keto-2-pyrazolin-4-yl]methyl]-3-(4-cyanophenyl)acrylic acid Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C#N)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C#N)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H18BrN3O3/c1-2-20-19(21(27)26(25-20)18-9-7-17(23)8-10-18)12-16(22(28)29)11-14-3-5-15(13-24)6-4-14/h3-11,19H,2,12H2,1H3,(H,28,29)