[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] quinoxaline-6-carboxylate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] quinoxaline-6-carboxylate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-carboxylic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C21H15N5O3 MolecularWeight: 385.3755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H15N5O3/c1-12(29-21(28)13-6-7-15-18(10-13)24-9-8-23-15)19(27)14(11-22)20-25-16-4-2-3-5-17(16)26-20/h2-10,12,25-26H,1H3/t12-/m1/s1