[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C15H15N3O3 MolecularWeight: 285.2979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-10-5-11(2)7-12(6-10)18-14(19)9-21-15(20)13-8-16-3-4-17-13/h3-8H,9H2,1-2H3,(H,18,19)