ethyl 6,7-bis(chloranyl)-8-(hydroxymethyl)-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-8-(hydroxymethyl)-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7-dichloro-8-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7-dichloro-8-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-8-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7-dichloro-4-keto-8-methylol-1H-quinoline-3-carboxylic acid ethyl ester Formula: C13H11Cl2NO4 MolecularWeight: 316.13674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)Cl)Cl)CO

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)Cl)Cl)CO

InChI

InChI=1S/C13H11Cl2NO4/c1-2-20-13(19)7-4-16-11-6(12(7)18)3-9(14)10(15)8(11)5-17/h3-4,17H,2,5H2,1H3,(H,16,18)