ethyl 8-iodanyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 8-iodanyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-(3-hydroxyprop-1-ynyl)-8-iodo-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-(3-hydroxyprop-1-ynyl)-8-iodo-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-hydroxyprop-1-ynyl)-8-iodo-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-(3-hydroxyprop-1-ynyl)-8-iodo-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C15H12INO4 MolecularWeight: 397.16455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2I)C#CCO

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2I)C#CCO

InChI

InChI=1S/C15H12INO4/c1-2-21-15(20)11-8-17-13-10(14(11)19)6-9(4-3-5-18)7-12(13)16/h6-8,18H,2,5H2,1H3,(H,17,19)