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heptan-2-yl 7-iodanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

heptan-2-yl 7-iodanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name:heptan-2-yl 7-iodanyl-4-oxidanylidene-1H-quinoline-3-carboxylate
Openeye Name:1-methylhexyl 7-iodo-4-oxo-1H-quinoline-3-carboxylate
CAS Name:7-iodo-4-oxo-1H-quinoline-3-carboxylic acid heptan-2-yl ester
IUPAC Name:heptan-2-yl 7-iodo-4-oxo-1H-quinoline-3-carboxylate
Traditional Name:7-iodo-4-keto-1H-quinoline-3-carboxylic acid 1-methylhexyl ester
Formula: C17H20INO3
MolecularWeight: 413.25007
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=CNC2=C(C1=O)C=CC(=C2)I


Isomeric SMILES

CCCCCC(C)OC(=O)C1=CNC2=C(C1=O)C=CC(=C2)I


InChI

InChI=1S/C17H20INO3/c1-3-4-5-6-11(2)22-17(21)14-10-19-15-9-12(18)7-8-13(15)16(14)20/h7-11H,3-6H2,1-2H3,(H,19,20)


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