2-(4-bromophenyl)-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)-3-hydroxy-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(4-bromophenyl)-3-hydroxy-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(4-bromophenyl)-3-hydroxy-7,8-dimethyl-cinchoninic acid Formula: C18H14BrNO3 MolecularWeight: 372.21266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H14BrNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)