methyl 3-[(4-cyano-2-iodanyl-phenyl)amino]-4,4,4-tris(fluoranyl)but-2-enoate

Systemtic Name: methyl 3-[(4-cyano-2-iodanyl-phenyl)amino]-4,4,4-tris(fluoranyl)but-2-enoate Openeye Name: methyl 3-(4-cyano-2-iodo-anilino)-4,4,4-trifluoro-but-2-enoate CAS Name: 3-(4-cyano-2-iodoanilino)-4,4,4-trifluoro-2-butenoic acid methyl ester IUPAC Name: methyl 3-(4-cyano-2-iodoanilino)-4,4,4-trifluorobut-2-enoate Traditional Name: 3-(4-cyano-2-iodo-anilino)-4,4,4-trifluoro-but-2-enoic acid methyl ester Formula: C12H8F3IN2O2 MolecularWeight: 396.1038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-5,18H,1H3