3-(hexylcarbamoyl)-4-oxidanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 3-(hexylcarbamoyl)-4-oxidanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 3-(hexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid CAS Name: 3-[(hexylamino)-oxomethyl]-4-oxo-1H-quinoline-6-carboxylic acid IUPAC Name: 3-(hexylcarbamoyl)-4-oxo-1H-quinoline-6-carboxylic acid Traditional Name: 3-(hexylcarbamoyl)-4-keto-1H-quinoline-6-carboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-2-3-4-5-8-18-16(21)13-10-19-14-7-6-11(17(22)23)9-12(14)15(13)20/h6-7,9-10H,2-5,8H2,1H3,(H,18,21)(H,19,20)(H,22,23)