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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)C)C

InChI

InChI=1S/C17H20N2O4/c1-5-22-14-8-6-13(7-9-14)15(20)10-23-17(21)16-11(2)18-19(4)12(16)3/h6-9H,5,10H2,1-4H3