6-bromanyl-2-[(E)-2-(5-methylfuran-2-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-(5-methylfuran-2-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(5-methyl-2-furyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(5-methyl-2-furanyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(5-methylfuran-2-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(5-methyl-2-furyl)vinyl]cinchoninate Formula: C17H11BrNO3- MolecularWeight: 357.17814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H12BrNO3/c1-10-2-5-13(22-10)6-4-12-9-15(17(20)21)14-8-11(18)3-7-16(14)19-12/h2-9H,1H3,(H,20,21)/p-1/b6-4+