[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)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-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)C(=C(C)N)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)/C(=C(\C)/N)/C#N)Cl

InChI

InChI=1S/C17H19ClN2O4/c1-11-8-13(5-6-15(11)18)23-7-3-4-17(22)24-10-16(21)14(9-19)12(2)20/h5-6,8H,3-4,7,10,20H2,1-2H3/b14-12+