butyl (4R)-2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4R)-2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4R)-4-(4-hydroxy-3-nitro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4R)-4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(4-hydroxy-3-nitro-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@H]1C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C23H28N2O6/c1-5-6-9-31-22(28)19-13(2)24-15-11-23(3,4)12-18(27)21(15)20(19)14-7-8-17(26)16(10-14)25(29)30/h7-8,10,20,24,26H,5-6,9,11-12H2,1-4H3/t20-/m0/s1