methyl 3-[(6-ethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-2-iodanyl-benzoate

Systemtic Name: methyl 3-[(6-ethyl-3-oxidanylidene-cyclohexen-1-yl)amino]-2-iodanyl-benzoate Openeye Name: methyl 3-[(6-ethyl-3-oxo-cyclohexen-1-yl)amino]-2-iodo-benzoate CAS Name: 3-[(6-ethyl-3-oxo-1-cyclohexenyl)amino]-2-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-ethyl-3-oxocyclohexen-1-yl)amino]-2-iodobenzoate Traditional Name: 3-[(6-ethyl-3-keto-cyclohexen-1-yl)amino]-2-iodo-benzoic acid methyl ester Formula: C16H18INO3 MolecularWeight: 399.22349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(=O)C=C1NC2=CC=CC(=C2I)C(=O)OC

Isomeric SMILES

CCC1CCC(=O)C=C1NC2=CC=CC(=C2I)C(=O)OC

InChI

InChI=1S/C16H18INO3/c1-3-10-7-8-11(19)9-14(10)18-13-6-4-5-12(15(13)17)16(20)21-2/h4-6,9-10,18H,3,7-8H2,1-2H3