3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)butanoic acid

Systemtic Name: 3-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)butanoic acid Openeye Name: 3-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)butanoic acid CAS Name: 3-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)butanoic acid IUPAC Name: 3-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)butanoic acid Traditional Name: 3-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)butyric acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-9(8-12(17)18)13-10(2)15-16(14(13)19)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18)