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

Systemtic Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyl]-3-(4-cyanophenyl)acrylic acid Formula: C21H16BrN3O3 MolecularWeight: 438.27404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C#N)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C#N)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrN3O3/c1-13-19(20(26)25(24-13)18-8-6-17(22)7-9-18)11-16(21(27)28)10-14-2-4-15(12-23)5-3-14/h2-10,19H,11H2,1H3,(H,27,28)