6-bromanyl-2-[(E)-2-(4-dimethylaminophenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-(4-dimethylaminophenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-(4-dimethylaminophenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-(4-dimethylaminophenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-(4-dimethylaminophenyl)vinyl]cinchoninic acid Formula: C20H17BrN2O2 MolecularWeight: 397.26518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C20H17BrN2O2/c1-23(2)16-8-4-13(5-9-16)3-7-15-12-18(20(24)25)17-11-14(21)6-10-19(17)22-15/h3-12H,1-2H3,(H,24,25)/b7-3+