(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C16H13N3O4/c1-9(18)11(7-17)15(21)8-23-16(22)13-6-14(20)10-4-2-3-5-12(10)19-13/h2-6,11,18H,8H2,1H3,(H,19,20)