6-bromanyl-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylic acid Traditional Name: 2-acenaphthen-5-yl-6-bromo-cinchoninic acid Formula: C22H14BrNO2 MolecularWeight: 404.25606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

InChI

InChI=1S/C22H14BrNO2/c23-14-7-9-19-17(10-14)18(22(25)26)11-20(24-19)15-8-6-13-5-4-12-2-1-3-16(15)21(12)13/h1-3,6-11H,4-5H2,(H,25,26)