(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-oxidanylidene-4-phenyl-butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11(18)13(9-17)15(20)10-22-16(21)8-7-14(19)12-5-3-2-4-6-12/h2-6,13,18H,7-8,10H2,1H3