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

Systemtic Name: propyl (4R)-2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=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/C22H26N2O6/c1-5-8-30-21(27)18-12(2)23-14-10-22(3,4)11-17(26)20(14)19(18)13-6-7-16(25)15(9-13)24(28)29/h6-7,9,19,23,25H,5,8,10-11H2,1-4H3/t19-/m0/s1