iodanylzinc(1+); methyl (3R)-3-[(4-bromophenyl)carbonylamino]butanoate

Systemtic Name: iodanylzinc(1+); methyl (3R)-3-[(4-bromophenyl)carbonylamino]butanoate Openeye Name: iodozinc(1+); methyl (3R)-3-[(4-bromobenzoyl)amino]butanoate CAS Name: (3R)-3-[[(4-bromophenyl)-oxomethyl]amino]butanoic acid methyl ester; iodozinc(1+) IUPAC Name: iodozinc(1+); methyl (3R)-3-[(4-bromobenzoyl)amino]butanoate Traditional Name: (3R)-3-[(4-bromobenzoyl)amino]butyric acid methyl ester; iodozinc(1+) Formula: C12H13BrINO3Zn MolecularWeight: 491.45399

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC([CH2-])NC(=O)C1=CC=C(C=C1)Br.[Zn+]I

Isomeric SMILES

COC(=O)C[C@@H]([CH2-])NC(=O)C1=CC=C(C=C1)Br.[Zn+]I

InChI

InChI=1S/C12H13BrNO3.HI.Zn/c1-8(7-11(15)17-2)14-12(16)9-3-5-10(13)6-4-9;;/h3-6,8H,1,7H2,2H3,(H,14,16);1H;/q-1;;+2/p-1/t8-;;/m1../s1