[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetate CAS Name: 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H15ClIN3O4 MolecularWeight: 487.67617

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)COC1=C(C=C(C2=C1N=CC=C2)Cl)I

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)COC1=C(C=C(C2=C1N=CC=C2)Cl)I

InChI

InChI=1S/C17H15ClIN3O4/c1-22(7-3-5-20)14(23)9-25-15(24)10-26-17-13(19)8-12(18)11-4-2-6-21-16(11)17/h2,4,6,8H,3,7,9-10H2,1H3