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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) pyridine-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) pyridine-3-carboxylate Traditional Name: nicotinic acid (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=CN=CC=C1

Isomeric SMILES

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

InChI

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