5-bromanyl-2-cyclopropyl-quinoline-4-carboxylate

Systemtic Name: 5-bromanyl-2-cyclopropyl-quinoline-4-carboxylate Openeye Name: 5-bromo-2-cyclopropyl-quinoline-4-carboxylate CAS Name: 5-bromo-2-cyclopropyl-4-quinolinecarboxylate IUPAC Name: 5-bromo-2-cyclopropylquinoline-4-carboxylate Traditional Name: 5-bromo-2-cyclopropyl-cinchoninate Formula: C13H9BrNO2- MolecularWeight: 291.12006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C13H10BrNO2/c14-9-2-1-3-10-12(9)8(13(16)17)6-11(15-10)7-4-5-7/h1-3,6-7H,4-5H2,(H,16,17)/p-1