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

Systemtic Name: 4-[(4E)-3-methyl-5-oxidanylidene-4-(phenylmethylidene)pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-benzylidene-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-methyl-5-oxo-4-(phenylmethylene)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-benzylidene-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-benzal-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3/c1-12-16(11-13-5-3-2-4-6-13)17(21)20(19-12)15-9-7-14(8-10-15)18(22)23/h2-11H,1H3,(H,22,23)/b16-11+