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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)Cl

InChI

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