[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2-(4-bromo-2-chloro-phenoxy)acetate CAS Name: 2-(4-bromo-2-chlorophenoxy)acetic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-bromo-2-chlorophenoxy)acetate Traditional Name: 2-(4-bromo-2-chloro-phenoxy)acetic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C14H16BrClN2O5 MolecularWeight: 407.64424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)COC1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C14H16BrClN2O5/c1-7(2)12(13(20)18-14(17)21)23-11(19)6-22-10-4-3-8(15)5-9(10)16/h3-5,7,12H,6H2,1-2H3,(H3,17,18,20,21)/t12-/m0/s1