[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C14H15N3O4/c1-3-20-13-10(5-4-6-17-13)14(19)21-8-12(18)11(7-15)9(2)16/h4-6,11,16H,3,8H2,1-2H3/t11-/m0/s1