6-bromanyl-2-(2-ethylpyrazol-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2-ethylpyrazol-3-yl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(2-ethylpyrazol-3-yl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(2-ethyl-3-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2-ethylpyrazol-3-yl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(2-ethylpyrazol-3-yl)cinchoninic acid Formula: C15H12BrN3O2 MolecularWeight: 346.17868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C15H12BrN3O2/c1-2-19-14(5-6-17-19)13-8-11(15(20)21)10-7-9(16)3-4-12(10)18-13/h3-8H,2H2,1H3,(H,20,21)