triethyl (2S,4R)-6-bromanyl-4-oxidanyl-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate

Systemtic Name: triethyl (2S,4R)-6-bromanyl-4-oxidanyl-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate Openeye Name: triethyl (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate CAS Name: (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylate Traditional Name: (2S,4R)-6-bromo-4-hydroxy-2,4-dihydro-1H-quinoline-2,3,3-tricarboxylic acid triethyl ester Formula: C18H22BrNO7 MolecularWeight: 444.27378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C2=C(N1)C=CC(=C2)Br)O)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1C([C@@H](C2=C(N1)C=CC(=C2)Br)O)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H22BrNO7/c1-4-25-15(22)13-18(16(23)26-5-2,17(24)27-6-3)14(21)11-9-10(19)7-8-12(11)20-13/h7-9,13-14,20-21H,4-6H2,1-3H3/t13-,14-/m1/s1