(E)-N-aminocarbonyl-2-cyano-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-aminocarbonyl-2-cyano-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-N-carbamoyl-2-cyano-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-carbamoyl-2-cyano-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-carbamoyl-2-cyano-3-(4-hydroxy-3-iodo-5-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-carbamoyl-2-cyano-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)acrylamide Formula: C12H10IN3O4 MolecularWeight: 387.12997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC(=O)N)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC(=O)N)I)O

InChI

InChI=1S/C12H10IN3O4/c1-20-9-4-6(3-8(13)10(9)17)2-7(5-14)11(18)16-12(15)19/h2-4,17H,1H3,(H3,15,16,18,19)/b7-2+