6-[[2,3-bis(chloranyl)phenyl]methyl]-1-butyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[[2,3-bis(chloranyl)phenyl]methyl]-1-butyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-butyl-6-[(2,3-dichlorophenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-butyl-6-[(2,3-dichlorophenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-butyl-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-butyl-6-(2,3-dichlorobenzyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19Cl2NO3 MolecularWeight: 404.28646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CCCCN1C=C(C(=O)C2=C1C=CC(=C2)CC3=C(C(=CC=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H19Cl2NO3/c1-2-3-9-24-12-16(21(26)27)20(25)15-11-13(7-8-18(15)24)10-14-5-4-6-17(22)19(14)23/h4-8,11-12H,2-3,9-10H2,1H3,(H,26,27)