[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] pyrazine-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NC=CN=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NC=CN=C2)C)C

InChI

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