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

Systemtic Name: 6-[[2,3-bis(chloranyl)phenyl]methyl]-1-cyclobutyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclobutyl-6-[(2,3-dichlorophenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclobutyl-6-[(2,3-dichlorophenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclobutyl-6-[(2,3-dichlorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclobutyl-6-(2,3-dichlorobenzyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H17Cl2NO3 MolecularWeight: 402.27058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(C1)N2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H17Cl2NO3/c22-17-6-1-3-13(19(17)23)9-12-7-8-18-15(10-12)20(25)16(21(26)27)11-24(18)14-4-2-5-14/h1,3,6-8,10-11,14H,2,4-5,9H2,(H,26,27)