(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C30H18BrNO4 MolecularWeight: 536.37222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)Br

InChI

InChI=1S/C30H18BrNO4/c31-21-8-5-7-19(14-21)26-16-24(23-10-3-4-11-25(23)32-26)30(34)35-17-20-15-28(33)36-27-13-12-18-6-1-2-9-22(18)29(20)27/h1-16H,17H2