(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-benzamidopropanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-benzamidopropanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-benzamidopropanoate CAS Name: 3-benzamidopropanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-benzamidopropanoate Traditional Name: 3-benzamidopropionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-11(18)13(9-17)14(20)10-23-15(21)7-8-19-16(22)12-5-3-2-4-6-12/h2-6,13,18H,7-8,10H2,1H3,(H,19,22)