[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-7H,2-3,8,10,20H2,1H3,(H,21,24)/b14-11+