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

Systemtic Name: methyl 2-iodanyl-3-[(3-oxidanylidene-6-propan-2-yl-cyclohexen-1-yl)amino]benzoate Openeye Name: methyl 2-iodo-3-[(6-isopropyl-3-oxo-cyclohexen-1-yl)amino]benzoate CAS Name: 2-iodo-3-[(3-oxo-6-propan-2-yl-1-cyclohexenyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-iodo-3-[(3-oxo-6-propan-2-ylcyclohexen-1-yl)amino]benzoate Traditional Name: 2-iodo-3-[(6-isopropyl-3-keto-cyclohexen-1-yl)amino]benzoic acid methyl ester Formula: C17H20INO3 MolecularWeight: 413.25007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(=O)C=C1NC2=CC=CC(=C2I)C(=O)OC

Isomeric SMILES

CC(C)C1CCC(=O)C=C1NC2=CC=CC(=C2I)C(=O)OC

InChI

InChI=1S/C17H20INO3/c1-10(2)12-8-7-11(20)9-15(12)19-14-6-4-5-13(16(14)18)17(21)22-3/h4-6,9-10,12,19H,7-8H2,1-3H3