[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)C(C#N)C(=N)C)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)N=C1C

InChI

InChI=1S/C17H16N4O3/c1-9(19)13(7-18)16(22)8-24-17(23)12-4-5-14-15(6-12)21-11(3)10(2)20-14/h4-6,13,19H,8H2,1-3H3/t13-/m0/s1