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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C15H14N2O3/c1-10-3-4-11(2)12(7-10)14(18)9-20-15(19)13-8-16-5-6-17-13/h3-8H,9H2,1-2H3