cyanomethyl 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate

Systemtic Name: cyanomethyl 2-(5-chloranyl-7-iodanyl-quinolin-8-yl)oxyethanoate Openeye Name: cyanomethyl 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetate CAS Name: 2-[(5-chloro-7-iodo-8-quinolinyl)oxy]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate Traditional Name: 2-[(5-chloro-7-iodo-8-quinolyl)oxy]acetic acid cyanomethyl ester Formula: C13H8ClIN2O3 MolecularWeight: 402.57169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2Cl)I)OCC(=O)OCC#N)N=C1

Isomeric SMILES

C1=CC2=C(C(=C(C=C2Cl)I)OCC(=O)OCC#N)N=C1

InChI

InChI=1S/C13H8ClIN2O3/c14-9-6-10(15)13(12-8(9)2-1-4-17-12)20-7-11(18)19-5-3-16/h1-2,4,6H,5,7H2