(E)-2-cyano-3-[3-iodanyl-4,5-bis(oxidanyl)phenyl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-iodanyl-4,5-bis(oxidanyl)phenyl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxy-5-iodo-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,4-dihydroxy-5-iodophenyl)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxy-5-iodophenyl)prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxy-5-iodo-phenyl)acrylamide Formula: C17H13IN2O3 MolecularWeight: 420.20119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C(=C2)I)O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H13IN2O3/c18-14-7-12(8-15(21)16(14)22)6-13(9-19)17(23)20-10-11-4-2-1-3-5-11/h1-8,21-22H,10H2,(H,20,23)/b13-6+