[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-chloranyl-phenoxy)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(2-bromo-4-chloro-phenoxy)acetate CAS Name: 2-(2-bromo-4-chlorophenoxy)acetic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate Traditional Name: 2-(2-bromo-4-chloro-phenoxy)acetic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C16H18BrClN2O4 MolecularWeight: 417.68212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)COC1=C(C=C(C=C1)Cl)Br

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)COC(=O)COC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C16H18BrClN2O4/c1-10(2)16(3,9-19)20-14(21)7-24-15(22)8-23-13-5-4-11(18)6-12(13)17/h4-6,10H,7-8H2,1-3H3,(H,20,21)/t16-/m1/s1