6-chloranyl-4-oxidanylidene-1-pentyl-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-oxidanylidene-1-pentyl-quinoline-3-carboxylic acid Openeye Name: 6-chloro-4-oxo-1-pentyl-quinoline-3-carboxylic acid CAS Name: 6-chloro-4-oxo-1-pentyl-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-4-oxo-1-pentylquinoline-3-carboxylic acid Traditional Name: 1-amyl-6-chloro-4-keto-quinoline-3-carboxylic acid Formula: C15H16ClNO3 MolecularWeight: 293.74544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C15H16ClNO3/c1-2-3-4-7-17-9-12(15(19)20)14(18)11-8-10(16)5-6-13(11)17/h5-6,8-9H,2-4,7H2,1H3,(H,19,20)