ethyl 7-chloranyl-6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-6-[4-(hydroxymethyl)-1-imidazolyl]-2-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-2-keto-6-(4-methylolimidazol-1-yl)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C16H14ClN3O4 MolecularWeight: 347.75306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC(=C(C=C2NC1=O)Cl)N3C=C(N=C3)CO

Isomeric SMILES

CCOC(=O)C1=CC2=CC(=C(C=C2NC1=O)Cl)N3C=C(N=C3)CO

InChI

InChI=1S/C16H14ClN3O4/c1-2-24-16(23)11-3-9-4-14(20-6-10(7-21)18-8-20)12(17)5-13(9)19-15(11)22/h3-6,8,21H,2,7H2,1H3,(H,19,22)