(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCCNC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCCNC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H18ClN3O4/c1-11(20)14(9-19)15(22)10-25-16(23)3-2-8-21-17(24)12-4-6-13(18)7-5-12/h4-7,14,20H,2-3,8,10H2,1H3,(H,21,24)