2-iodanyl-3-[(4-methyl-3-oxidanyl-phenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-iodanyl-3-[(4-methyl-3-oxidanyl-phenyl)amino]cyclohex-2-en-1-one Openeye Name: 3-(3-hydroxy-4-methyl-anilino)-2-iodo-cyclohex-2-en-1-one CAS Name: 3-(3-hydroxy-4-methylanilino)-2-iodo-1-cyclohex-2-enone IUPAC Name: 3-(3-hydroxy-4-methylanilino)-2-iodocyclohex-2-en-1-one Traditional Name: 3-(3-hydroxy-4-methyl-anilino)-2-iodo-cyclohex-2-en-1-one Formula: C13H14INO2 MolecularWeight: 343.16023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=O)CCC2)I)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=O)CCC2)I)O

InChI

InChI=1S/C13H14INO2/c1-8-5-6-9(7-12(8)17)15-10-3-2-4-11(16)13(10)14/h5-7,15,17H,2-4H2,1H3