methyl 3-[[6-(4-chlorophenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]-2-iodanyl-benzoate

Systemtic Name: methyl 3-[[6-(4-chlorophenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]-2-iodanyl-benzoate Openeye Name: methyl 3-[[6-(4-chlorophenyl)-3-oxo-cyclohexen-1-yl]amino]-2-iodo-benzoate CAS Name: 3-[[6-(4-chlorophenyl)-3-oxo-1-cyclohexenyl]amino]-2-iodobenzoic acid methyl ester IUPAC Name: methyl 3-[[6-(4-chlorophenyl)-3-oxocyclohexen-1-yl]amino]-2-iodobenzoate Traditional Name: 3-[[6-(4-chlorophenyl)-3-keto-cyclohexen-1-yl]amino]-2-iodo-benzoic acid methyl ester Formula: C20H17ClINO3 MolecularWeight: 481.71135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClINO3/c1-26-20(25)16-3-2-4-17(19(16)22)23-18-11-14(24)9-10-15(18)12-5-7-13(21)8-6-12/h2-8,11,15,23H,9-10H2,1H3