[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-1H-pyrazole-3-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-cyclopropyl-1H-pyrazole-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-1H-pyrazole-3-carboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 5-cyclopropyl-1H-pyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-1H-pyrazole-3-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=NNC(=C2)C3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=NNC(=C2)C3CC3)C

InChI

InChI=1S/C18H20N2O3/c1-10-4-5-14(8-11(10)2)17(21)12(3)23-18(22)16-9-15(19-20-16)13-6-7-13/h4-5,8-9,12-13H,6-7H2,1-3H3,(H,19,20)