methyl 3-(4-cyano-2-iodanyl-phenyl)imino-4,4,4-tris(fluoranyl)butanoate

Systemtic Name: methyl 3-(4-cyano-2-iodanyl-phenyl)imino-4,4,4-tris(fluoranyl)butanoate Openeye Name: methyl 3-(4-cyano-2-iodo-phenyl)imino-4,4,4-trifluoro-butanoate CAS Name: 3-(4-cyano-2-iodophenyl)imino-4,4,4-trifluorobutanoic acid methyl ester IUPAC Name: methyl 3-(4-cyano-2-iodophenyl)imino-4,4,4-trifluorobutanoate Traditional Name: 3-(4-cyano-2-iodo-phenyl)imino-4,4,4-trifluoro-butyric acid methyl ester Formula: C12H8F3IN2O2 MolecularWeight: 396.1038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=NC1=C(C=C(C=C1)C#N)I)C(F)(F)F

Isomeric SMILES

COC(=O)CC(=NC1=C(C=C(C=C1)C#N)I)C(F)(F)F

InChI

InChI=1S/C12H8F3IN2O2/c1-20-11(19)5-10(12(13,14)15)18-9-3-2-7(6-17)4-8(9)16/h2-4H,5H2,1H3