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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)C(C#N)C(=N)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)[C@@H](C#N)C(=N)C)Cl)C

InChI

InChI=1S/C14H14ClN3O3/c1-7-4-8(2)18-13(15)12(7)14(20)21-6-11(19)10(5-16)9(3)17/h4,10,17H,6H2,1-3H3/t10-/m0/s1