6-bromanyl-2-[(E)-2-pyridin-3-ylethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-pyridin-3-ylethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(3-pyridyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(3-pyridinyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-pyridin-3-ylethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(3-pyridyl)vinyl]cinchoninate Formula: C17H10BrN2O2- MolecularWeight: 354.1775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H11BrN2O2/c18-12-4-6-16-14(8-12)15(17(21)22)9-13(20-16)5-3-11-2-1-7-19-10-11/h1-10H,(H,21,22)/p-1/b5-3+