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

Systemtic Name: propan-2-yl 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoate Openeye Name: isopropyl 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoate CAS Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoate Traditional Name: 4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoic acid isopropyl ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-9(2)19-14(18)11-4-6-12(7-5-11)16-13(17)8-10(3)15-16/h4-7,9H,8H2,1-3H3