3-butyl-4-oxidanylidene-1H-quinoline-2,7-dicarboxylic acid

Systemtic Name: 3-butyl-4-oxidanylidene-1H-quinoline-2,7-dicarboxylic acid Openeye Name: 3-butyl-4-oxo-1H-quinoline-2,7-dicarboxylic acid CAS Name: 3-butyl-4-oxo-1H-quinoline-2,7-dicarboxylic acid IUPAC Name: 3-butyl-4-oxo-1H-quinoline-2,7-dicarboxylic acid Traditional Name: 3-butyl-4-keto-1H-quinoline-2,7-dicarboxylic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC2=C(C1=O)C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C(NC2=C(C1=O)C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H15NO5/c1-2-3-4-10-12(15(20)21)16-11-7-8(14(18)19)5-6-9(11)13(10)17/h5-7H,2-4H2,1H3,(H,16,17)(H,18,19)(H,20,21)