2-[5-(4-bromanyl-3-chloranyl-phenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(4-bromanyl-3-chloranyl-phenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[5-(4-bromo-3-chlorophenyl)-2-furanyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-6-methyl-cinchoninic acid Formula: C21H13BrClNO3 MolecularWeight: 442.68982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)Br)Cl

InChI

InChI=1S/C21H13BrClNO3/c1-11-2-5-17-13(8-11)14(21(25)26)10-18(24-17)20-7-6-19(27-20)12-3-4-15(22)16(23)9-12/h2-10H,1H3,(H,25,26)