4-[(Z)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)pyrazol-4-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[3-methyl-5-oxidanylidene-1-(phenylmethyl)pyrazol-4-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-(1-benzyl-3-methyl-5-oxo-pyrazol-4-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-[3-methyl-5-oxo-1-(phenylmethyl)-4-pyrazolylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-(1-benzyl-3-methyl-5-oxopyrazol-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(Z)-(1-benzyl-5-keto-3-methyl-2-pyrazolin-4-ylidene)methyl]benzoic acid Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3/c1-13-17(11-14-7-9-16(10-8-14)19(23)24)18(22)21(20-13)12-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,24)/b17-11-