[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H13FN4O3 MolecularWeight: 316.287123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC=C2C(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=CC=C1N2C=NC=C2C(=O)OCC(=O)NCCC#N)F

InChI

InChI=1S/C15H13FN4O3/c16-11-2-4-12(5-3-11)20-10-18-8-13(20)15(22)23-9-14(21)19-7-1-6-17/h2-5,8,10H,1,7,9H2,(H,19,21)