3-(5-methyl-3-oxidanylidene-4-prop-2-enyl-1H-pyrazol-2-yl)benzoic acid

Systemtic Name: 3-(5-methyl-3-oxidanylidene-4-prop-2-enyl-1H-pyrazol-2-yl)benzoic acid Openeye Name: 3-(4-allyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid CAS Name: 3-(5-methyl-3-oxo-4-prop-2-enyl-1H-pyrazol-2-yl)benzoic acid IUPAC Name: 3-(5-methyl-3-oxo-4-prop-2-enyl-1H-pyrazol-2-yl)benzoic acid Traditional Name: 3-(4-allyl-5-keto-3-methyl-3-pyrazolin-1-yl)benzoic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)CC=C

InChI

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