[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-2-methyl-phenoxy)propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H19ClN2O4/c1-14-12-16(21)8-9-18(14)27-15(2)20(25)26-13-19(24)23(11-10-22)17-6-4-3-5-7-17/h3-9,12,15H,11,13H2,1-2H3