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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] pyridine-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=NC=C1

Isomeric SMILES

CC(=N)[C@H](C#N)C(=O)COC(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H11N3O3/c1-8(14)10(6-13)11(16)7-18-12(17)9-2-4-15-5-3-9/h2-5,10,14H,7H2,1H3/t10-/m0/s1