[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-2-methyl-phenoxy)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4/c1-13-11-15(19)5-6-16(13)26-14(2)18(24)25-12-17(23)22(9-3-7-20)10-4-8-21/h5-6,11,14H,3-4,9-10,12H2,1-2H3