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

Systemtic Name: iodanylzinc(1+); methyl (3R)-3-[(4-cyanophenyl)carbonylamino]butanoate Openeye Name: iodozinc(1+); methyl (3R)-3-[(4-cyanobenzoyl)amino]butanoate CAS Name: (3R)-3-[[(4-cyanophenyl)-oxomethyl]amino]butanoic acid methyl ester; iodozinc(1+) IUPAC Name: iodozinc(1+); methyl (3R)-3-[(4-cyanobenzoyl)amino]butanoate Traditional Name: (3R)-3-[(4-cyanobenzoyl)amino]butyric acid methyl ester; iodozinc(1+) Formula: C13H13IN2O3Zn MolecularWeight: 437.56739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N2O3.HI.Zn/c1-9(7-12(16)18-2)15-13(17)11-5-3-10(8-14)4-6-11;;/h3-6,9H,1,7H2,2H3,(H,15,17);1H;/q-1;;+2/p-1/t9-;;/m1../s1