[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-bromo-2-chloro-phenoxy)acetate CAS Name: 2-(4-bromo-2-chlorophenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromo-2-chlorophenoxy)acetate Traditional Name: 2-(4-bromo-2-chloro-phenoxy)acetic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C16H16BrClN2O4 MolecularWeight: 415.66624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H16BrClN2O4/c1-16(9-19,10-2-3-10)20-14(21)7-24-15(22)8-23-13-5-4-11(17)6-12(13)18/h4-6,10H,2-3,7-8H2,1H3,(H,20,21)/t16-/m0/s1