[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C15H13N5O3 MolecularWeight: 311.29542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C15H13N5O3/c16-6-5-10-1-3-11(4-2-10)20-12(21)9-23-15(22)13-14(17)19-8-7-18-13/h1-4,7-8H,5,9H2,(H2,17,19)(H,20,21)