4-[3,5-dimethyl-1-(2-oxidanylidenepropyl)pyrazol-4-yl]benzoate

Systemtic Name: 4-[3,5-dimethyl-1-(2-oxidanylidenepropyl)pyrazol-4-yl]benzoate Openeye Name: 4-(1-acetonyl-3,5-dimethyl-pyrazol-4-yl)benzoate CAS Name: 4-[3,5-dimethyl-1-(2-oxopropyl)-4-pyrazolyl]benzoate IUPAC Name: 4-[3,5-dimethyl-1-(2-oxopropyl)pyrazol-4-yl]benzoate Traditional Name: 4-(1-acetonyl-3,5-dimethyl-pyrazol-4-yl)benzoate Formula: C15H15N2O3- MolecularWeight: 271.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C)C)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C)C)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H16N2O3/c1-9(18)8-17-11(3)14(10(2)16-17)12-4-6-13(7-5-12)15(19)20/h4-7H,8H2,1-3H3,(H,19,20)/p-1