5-cyano-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-cyano-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-cyano-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-cyano-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-cyano-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-cyano-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C13H10N2O3 MolecularWeight: 242.2301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C=CC=C21)C#N)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C=CC=C21)C#N)C(=O)O

InChI

InChI=1S/C13H10N2O3/c1-2-15-7-9(13(17)18)12(16)11-8(6-14)4-3-5-10(11)15/h3-5,7H,2H2,1H3,(H,17,18)