[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C15H12N4O3 MolecularWeight: 296.28078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C15H12N4O3/c16-6-5-11-1-3-12(4-2-11)19-14(20)10-22-15(21)13-9-17-7-8-18-13/h1-4,7-9H,5,10H2,(H,19,20)