(3aR,4S,9bS)-9-bromanyl-6-oxidanidyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate

Systemtic Name: (3aR,4S,9bS)-9-bromanyl-6-oxidanidyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate Openeye Name: (3aR,4S,9bS)-9-bromo-6-oxido-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate CAS Name: (3aR,4S,9bS)-9-bromo-6-oxido-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate IUPAC Name: (3aR,4S,9bS)-9-bromo-6-oxido-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate Traditional Name: (3aR,4S,9bS)-9-bromo-6-oxido-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate Formula: C13H10BrNO3-2 MolecularWeight: 308.1274

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C1C(NC3=C(C=CC(=C23)Br)[O-])C(=O)[O-]

Isomeric SMILES

C1C=C[C@H]2[C@@H]1[C@H](NC3=C(C=CC(=C23)Br)[O-])C(=O)[O-]

InChI

InChI=1S/C13H12BrNO3/c14-8-4-5-9(16)12-10(8)6-2-1-3-7(6)11(15-12)13(17)18/h1-2,4-7,11,15-16H,3H2,(H,17,18)/p-2/t6-,7+,11-/m0/s1