6-[2-(4-bromophenyl)ethylamino]-7-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[2-(4-bromophenyl)ethylamino]-7-chloranyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[2-(4-bromophenyl)ethylamino]-7-chloro-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[2-(4-bromophenyl)ethylamino]-7-chloro-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[2-(4-bromophenyl)ethylamino]-7-chloro-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-[2-(4-bromophenyl)ethylamino]-7-chloro-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C20H18BrClN2O3 MolecularWeight: 449.72552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)NCCC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H18BrClN2O3/c1-2-24-11-15(20(26)27)19(25)14-9-17(16(22)10-18(14)24)23-8-7-12-3-5-13(21)6-4-12/h3-6,9-11,23H,2,7-8H2,1H3,(H,26,27)