4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzoic acid CAS Name: 4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzoic acid IUPAC Name: 4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzoic acid Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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