4-(4-ethylphenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoic acid

Systemtic Name: 4-(4-ethylphenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoic acid Openeye Name: 4-(4-ethylphenyl)-4-oxo-2-pyrazol-1-yl-butanoic acid CAS Name: 4-(4-ethylphenyl)-4-oxo-2-(1-pyrazolyl)butanoic acid IUPAC Name: 4-(4-ethylphenyl)-4-oxo-2-pyrazol-1-ylbutanoic acid Traditional Name: 4-(4-ethylphenyl)-4-keto-2-pyrazol-1-yl-butyric acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=CC=N2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=CC=N2

InChI

InChI=1S/C15H16N2O3/c1-2-11-4-6-12(7-5-11)14(18)10-13(15(19)20)17-9-3-8-16-17/h3-9,13H,2,10H2,1H3,(H,19,20)