5-bromanyl-2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: 5-bromanyl-2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: 5-bromo-2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 5-bromo-2-ethyl-3-methyl-4-quinolinecarboxylate IUPAC Name: 5-bromo-2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 5-bromo-2-ethyl-3-methyl-cinchoninate Formula: C13H11BrNO2- MolecularWeight: 293.13594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=N1)C=CC=C2Br)C(=O)[O-])C

Isomeric SMILES

CCC1=C(C(=C2C(=N1)C=CC=C2Br)C(=O)[O-])C

InChI

InChI=1S/C13H12BrNO2/c1-3-9-7(2)11(13(16)17)12-8(14)5-4-6-10(12)15-9/h4-6H,3H2,1-2H3,(H,16,17)/p-1