6-oxidanylidene-6-(1-phenylpyrazol-4-yl)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-(1-phenylpyrazol-4-yl)hexanoic acid Openeye Name: 6-oxo-6-(1-phenylpyrazol-4-yl)hexanoic acid CAS Name: 6-oxo-6-(1-phenyl-4-pyrazolyl)hexanoic acid IUPAC Name: 6-oxo-6-(1-phenylpyrazol-4-yl)hexanoic acid Traditional Name: 6-keto-6-(1-phenylpyrazol-4-yl)hexanoic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c18-14(8-4-5-9-15(19)20)12-10-16-17(11-12)13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20)