sodium 6-butanoyl-5-methyl-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: sodium 6-butanoyl-5-methyl-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: sodium 6-butanoyl-5-methyl-4-oxo-1H-quinoline-2-carboxylate CAS Name: sodium 5-methyl-4-oxo-6-(1-oxobutyl)-1H-quinoline-2-carboxylate IUPAC Name: sodium 6-butanoyl-5-methyl-4-oxo-1H-quinoline-2-carboxylate Traditional Name: sodium 6-butyryl-4-keto-5-methyl-1H-quinoline-2-carboxylate Formula: C15H14NNaO4 MolecularWeight: 295.26573

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(C=C1)NC(=CC2=O)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCCC(=O)C1=C(C2=C(C=C1)NC(=CC2=O)C(=O)[O-])C.[Na+]

InChI

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