6-bromanyl-2-[(E)-2-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[5-(2-chloro-4-nitro-phenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[5-(2-chloro-4-nitrophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[5-(2-chloro-4-nitro-phenyl)-2-furyl]vinyl]cinchoninic acid Formula: C22H12BrClN2O5 MolecularWeight: 499.69808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)/C=C/C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

InChI

InChI=1S/C22H12BrClN2O5/c23-12-1-7-20-17(9-12)18(22(27)28)10-13(25-20)2-4-15-5-8-21(31-15)16-6-3-14(26(29)30)11-19(16)24/h1-11H,(H,27,28)/b4-2+