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

Systemtic Name: methyl 2-iodanyl-3-[(3-oxidanylidene-6-phenyl-cyclohexen-1-yl)amino]benzoate Openeye Name: methyl 2-iodo-3-[(3-oxo-6-phenyl-cyclohexen-1-yl)amino]benzoate CAS Name: 2-iodo-3-[(3-oxo-6-phenyl-1-cyclohexenyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-iodo-3-[(3-oxo-6-phenylcyclohexen-1-yl)amino]benzoate Traditional Name: 2-iodo-3-[(3-keto-6-phenyl-cyclohexen-1-yl)amino]benzoic acid methyl ester Formula: C20H18INO3 MolecularWeight: 447.26629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CCC2C3=CC=CC=C3)I

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CCC2C3=CC=CC=C3)I

InChI

InChI=1S/C20H18INO3/c1-25-20(24)16-8-5-9-17(19(16)21)22-18-12-14(23)10-11-15(18)13-6-3-2-4-7-13/h2-9,12,15,22H,10-11H2,1H3