(E)-3-(4-bromanyl-5-iodanyl-furan-2-yl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromanyl-5-iodanyl-furan-2-yl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-bromo-5-iodo-2-furyl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-(4-bromo-5-iodo-2-furanyl)-2-cyano-N-(2,3-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-(4-bromo-5-iodofuran-2-yl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-bromo-5-iodo-2-furyl)-2-cyano-N-(2,3-dimethylphenyl)acrylamide Formula: C16H12BrIN2O2 MolecularWeight: 471.08715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CC(=C(O2)I)Br)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)/C(=C/C2=CC(=C(O2)I)Br)/C#N)C

InChI

InChI=1S/C16H12BrIN2O2/c1-9-4-3-5-14(10(9)2)20-16(21)11(8-19)6-12-7-13(17)15(18)22-12/h3-7H,1-2H3,(H,20,21)/b11-6+