6-butanoyl-1,7,8-trimethyl-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 6-butanoyl-1,7,8-trimethyl-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 6-butanoyl-1,7,8-trimethyl-4-oxo-quinoline-2-carboxylic acid CAS Name: 1,7,8-trimethyl-4-oxo-6-(1-oxobutyl)-2-quinolinecarboxylic acid IUPAC Name: 6-butanoyl-1,7,8-trimethyl-4-oxoquinoline-2-carboxylic acid Traditional Name: 6-butyryl-4-keto-1,7,8-trimethyl-quinaldic acid Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C2C(=C1)C(=O)C=C(N2C)C(=O)O)C)C

Isomeric SMILES

CCCC(=O)C1=C(C(=C2C(=C1)C(=O)C=C(N2C)C(=O)O)C)C

InChI

InChI=1S/C17H19NO4/c1-5-6-14(19)11-7-12-15(20)8-13(17(21)22)18(4)16(12)10(3)9(11)2/h7-8H,5-6H2,1-4H3,(H,21,22)