[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(C=N2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C(C=N2)C

InChI

InChI=1S/C16H16N2O3/c1-3-12-4-6-13(7-5-12)15(19)10-21-16(20)14-9-17-11(2)8-18-14/h4-9H,3,10H2,1-2H3