ethyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-chloranyl-6-fluoranyl-4-oxidanylidene-4aH-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-chloranyl-6-fluoranyl-4-oxidanylidene-4aH-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-chloro-6-fluoro-4-oxo-4aH-quinolin-1-ium-3-carboxylate CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-chloro-6-fluoro-4-oxo-4aH-quinolin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-chloro-6-fluoro-4-oxo-4aH-quinolin-1-ium-3-carboxylate Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-chloro-6-fluoro-4-keto-4aH-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H15BrClFNO5+ MolecularWeight: 483.692203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=C2C=C(C(=CC2C1=O)F)Cl)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCOC(=O)C1=C[N+](=C2C=C(C(=CC2C1=O)F)Cl)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C20H15BrClFNO5/c1-2-27-20(26)12-8-24(16-6-14(22)15(23)4-11(16)19(12)25)7-10-3-17-18(5-13(10)21)29-9-28-17/h3-6,8,11H,2,7,9H2,1H3/q+1