6-butanoyl-7-methyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-butanoyl-7-methyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-butanoyl-7-methyl-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 7-methyl-4-oxo-6-(1-oxobutyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 6-butanoyl-7-methyl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-butyryl-4-keto-7-methyl-1H-quinoline-3-carboxylic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)O)C

InChI

InChI=1S/C15H15NO4/c1-3-4-13(17)9-6-10-12(5-8(9)2)16-7-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,16,18)(H,19,20)