[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N(N=C2C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N(N=C2C)C)C

InChI

InChI=1S/C17H20N2O3/c1-10-6-7-11(2)14(8-10)15(20)9-22-17(21)16-12(3)18-19(5)13(16)4/h6-8H,9H2,1-5H3