6-bromanyl-2-(2,5-dimethylfuran-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2,5-dimethylfuran-3-yl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(2,5-dimethyl-3-furyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(2,5-dimethyl-3-furanyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2,5-dimethylfuran-3-yl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(2,5-dimethyl-3-furyl)cinchoninic acid Formula: C16H12BrNO3 MolecularWeight: 346.17538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C16H12BrNO3/c1-8-5-11(9(2)21-8)15-7-13(16(19)20)12-6-10(17)3-4-14(12)18-15/h3-7H,1-2H3,(H,19,20)