1-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-6-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-6-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-bromo-1-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-bromo-1-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-bromo-1-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-bromo-1-(2,6-difluorobenzyl)-4-keto-6-methyl-quinoline-3-carboxylic acid Formula: C18H12BrF2NO3 MolecularWeight: 408.193586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=CN2CC3=C(C=CC=C3F)F)C(=O)O)Br

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=CN2CC3=C(C=CC=C3F)F)C(=O)O)Br

InChI

InChI=1S/C18H12BrF2NO3/c1-9-5-10-16(6-13(9)19)22(8-12(17(10)23)18(24)25)7-11-14(20)3-2-4-15(11)21/h2-6,8H,7H2,1H3,(H,24,25)