6-bromanyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(2,5-dimethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(2,5-dimethylphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(2,5-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(2,5-dimethylphenyl)cinchoninate Formula: C18H13BrNO2- MolecularWeight: 355.20532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C18H14BrNO2/c1-10-3-4-11(2)13(7-10)17-9-15(18(21)22)14-8-12(19)5-6-16(14)20-17/h3-9H,1-2H3,(H,21,22)/p-1