methyl (E)-4-(4-cyano-2-iodanyl-phenoxy)but-2-enoate

Systemtic Name: methyl (E)-4-(4-cyano-2-iodanyl-phenoxy)but-2-enoate Openeye Name: methyl (E)-4-(4-cyano-2-iodo-phenoxy)but-2-enoate CAS Name: (E)-4-(4-cyano-2-iodophenoxy)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-cyano-2-iodophenoxy)but-2-enoate Traditional Name: (E)-4-(4-cyano-2-iodo-phenoxy)but-2-enoic acid methyl ester Formula: C12H10INO3 MolecularWeight: 343.11717

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCOC1=C(C=C(C=C1)C#N)I

Isomeric SMILES

COC(=O)/C=C/COC1=C(C=C(C=C1)C#N)I

InChI

InChI=1S/C12H10INO3/c1-16-12(15)3-2-6-17-11-5-4-9(8-14)7-10(11)13/h2-5,7H,6H2,1H3/b3-2+