7-bromanyl-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylate

Systemtic Name: 7-bromanyl-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylate Openeye Name: 7-bromo-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylate CAS Name: 7-bromo-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxylate IUPAC Name: 7-bromo-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylate Traditional Name: 7-bromo-2-(1,3-dimethylpyrazol-4-yl)cinchoninate Formula: C15H11BrN3O2- MolecularWeight: 345.17074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)[O-])C

InChI

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