6-bromanyl-2-[4-(4-nitrophenyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-(4-nitrophenyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(4-nitrophenyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(4-nitrophenyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(4-nitrophenyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-(4-nitrophenyl)phenyl]cinchoninic acid Formula: C22H13BrN2O4 MolecularWeight: 449.25362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

InChI

InChI=1S/C22H13BrN2O4/c23-16-7-10-20-18(11-16)19(22(26)27)12-21(24-20)15-3-1-13(2-4-15)14-5-8-17(9-6-14)25(28)29/h1-12H,(H,26,27)