(E)-3-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[3,5-bis(iodanyl)-2-oxidanyl-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-(2-hydroxy-3,5-diiodo-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-(2-hydroxy-3,5-diiodophenyl)prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-(2-hydroxy-3,5-diiodo-phenyl)acrylamide Formula: C17H12I2N2O2 MolecularWeight: 530.09832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=CC(=C2O)I)I)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=CC(=C2O)I)I)/C#N

InChI

InChI=1S/C17H12I2N2O2/c18-14-7-12(16(22)15(19)8-14)6-13(9-20)17(23)21-10-11-4-2-1-3-5-11/h1-8,22H,10H2,(H,21,23)/b13-6+