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

Systemtic Name: 4-(5-methyl-3-oxidanylidene-4-prop-2-enyl-1H-pyrazol-2-yl)benzoate Openeye Name: 4-(4-allyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate CAS Name: 4-(5-methyl-3-oxo-4-prop-2-enyl-1H-pyrazol-2-yl)benzoate IUPAC Name: 4-(5-methyl-3-oxo-4-prop-2-enyl-1H-pyrazol-2-yl)benzoate Traditional Name: 4-(4-allyl-5-keto-3-methyl-3-pyrazolin-1-yl)benzoate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-])CC=C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)[O-])CC=C

InChI

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