6-bromanyl-2-[(E)-3-methylbut-1-enyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-3-methylbut-1-enyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-3-methylbut-1-enyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-3-methylbut-1-enyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-3-methylbut-1-enyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-3-methylbut-1-enyl]cinchoninate Formula: C15H13BrNO2- MolecularWeight: 319.17322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-]

Isomeric SMILES

CC(C)/C=C/C1=NC2=C(C=C(C=C2)Br)C(=C1)C(=O)[O-]

InChI

InChI=1S/C15H14BrNO2/c1-9(2)3-5-11-8-13(15(18)19)12-7-10(16)4-6-14(12)17-11/h3-9H,1-2H3,(H,18,19)/p-1/b5-3+