(E)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-iodanyl-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-iodanyl-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-hydroxy-3-iodo-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-hydroxy-3-iodophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-hydroxy-3-iodophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-hydroxy-3-iodo-phenyl)acrylamide Formula: C18H15IN2O2 MolecularWeight: 418.22837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)I)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15IN2O2/c1-11-4-3-5-16(12(11)2)21-18(23)14(10-20)8-13-6-7-17(22)15(19)9-13/h3-9,22H,1-2H3,(H,21,23)/b14-8+