6-(2,4-dichlorophenyl)carbonyl-4-oxidanylidene-1-(3-oxidanylpropyl)quinoline-3-carboxylic acid

Systemtic Name: 6-(2,4-dichlorophenyl)carbonyl-4-oxidanylidene-1-(3-oxidanylpropyl)quinoline-3-carboxylic acid Openeye Name: 6-(2,4-dichlorobenzoyl)-1-(3-hydroxypropyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2,4-dichlorophenyl)-oxomethyl]-1-(3-hydroxypropyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-(2,4-dichlorobenzoyl)-1-(3-hydroxypropyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2,4-dichlorobenzoyl)-1-(3-hydroxypropyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H15Cl2NO5 MolecularWeight: 420.2428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C(=CN2CCCO)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C(=CN2CCCO)C(=O)O

InChI

InChI=1S/C20H15Cl2NO5/c21-12-3-4-13(16(22)9-12)18(25)11-2-5-17-14(8-11)19(26)15(20(27)28)10-23(17)6-1-7-24/h2-5,8-10,24H,1,6-7H2,(H,27,28)