3-(3-methyl-5-oxidanylidene-4-propan-2-ylidene-pyrazol-1-yl)benzoic acid

Systemtic Name: 3-(3-methyl-5-oxidanylidene-4-propan-2-ylidene-pyrazol-1-yl)benzoic acid Openeye Name: 3-(4-isopropylidene-3-methyl-5-oxo-pyrazol-1-yl)benzoic acid CAS Name: 3-(3-methyl-5-oxo-4-propan-2-ylidene-1-pyrazolyl)benzoic acid IUPAC Name: 3-(3-methyl-5-oxo-4-propan-2-ylidenepyrazol-1-yl)benzoic acid Traditional Name: 3-(4-isopropylidene-5-keto-3-methyl-2-pyrazolin-1-yl)benzoic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-8(2)12-9(3)15-16(13(12)17)11-6-4-5-10(7-11)14(18)19/h4-7H,1-3H3,(H,18,19)