methyl 4-azido-3-iodanyl-4-phenyl-butanoate

Systemtic Name: methyl 4-azido-3-iodanyl-4-phenyl-butanoate Openeye Name: methyl 4-azido-3-iodo-4-phenyl-butanoate CAS Name: 4-azido-3-iodo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 4-azido-3-iodo-4-phenylbutanoate Traditional Name: 4-azido-3-iodo-4-phenyl-butyric acid methyl ester Formula: C11H12IN3O2 MolecularWeight: 345.13635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(C1=CC=CC=C1)N=[N+]=[N-])I

Isomeric SMILES

COC(=O)CC(C(C1=CC=CC=C1)N=[N+]=[N-])I

InChI

InChI=1S/C11H12IN3O2/c1-17-10(16)7-9(12)11(14-15-13)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3