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

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyl]-3-(4-cyanophenyl)acrylic acid Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O3/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)