4-oxidanylidene-1-propan-2-yl-quinoline-3,7-dicarboxylic acid

Systemtic Name: 4-oxidanylidene-1-propan-2-yl-quinoline-3,7-dicarboxylic acid Openeye Name: 1-isopropyl-4-oxo-quinoline-3,7-dicarboxylic acid CAS Name: 4-oxo-1-propan-2-ylquinoline-3,7-dicarboxylic acid IUPAC Name: 4-oxo-1-propan-2-ylquinoline-3,7-dicarboxylic acid Traditional Name: 1-isopropyl-4-keto-quinoline-3,7-dicarboxylic acid Formula: C14H13NO5 MolecularWeight: 275.25672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=C1C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C=C(C(=O)C2=C1C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO5/c1-7(2)15-6-10(14(19)20)12(16)9-4-3-8(13(17)18)5-11(9)15/h3-7H,1-2H3,(H,17,18)(H,19,20)