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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(=N2)C=CC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(=N2)/C=C/C3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C17H11BrN2O2/c18-12-2-4-16-14(9-12)15(17(21)22)10-13(20-16)3-1-11-5-7-19-8-6-11/h1-10H,(H,21,22)/p-1/b3-1+