[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)/N

InChI

InChI=1S/C16H17ClN2O4/c1-10(19)13(8-18)14(20)9-22-15(21)16(2,3)23-12-6-4-11(17)5-7-12/h4-7H,9,19H2,1-3H3/b13-10+