3-[(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-3-methyl-5-oxo-4-(p-tolylmethylene)pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-3-methyl-4-(4-methylbenzylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C19H16N2O3/c1-12-6-8-14(9-7-12)10-17-13(2)20-21(18(17)22)16-5-3-4-15(11-16)19(23)24/h3-11H,1-2H3,(H,23,24)/b17-10+