6-bromanyl-2-propan-2-yl-quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-propan-2-yl-quinoline-4-carboxylate Openeye Name: 6-bromo-2-isopropyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-propan-2-yl-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-propan-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-2-isopropyl-cinchoninate Formula: C13H11BrNO2- MolecularWeight: 293.13594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-]

InChI

InChI=1S/C13H12BrNO2/c1-7(2)12-6-10(13(16)17)9-5-8(14)3-4-11(9)15-12/h3-7H,1-2H3,(H,16,17)/p-1