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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) quinoline-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) quinoline-2-carboxylate Traditional Name: quinaldic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H13N3O3/c1-10(18)12(8-17)15(20)9-22-16(21)14-7-6-11-4-2-3-5-13(11)19-14/h2-7,12,18H,9H2,1H3