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

Systemtic Name: cyclohexyl (4R)-2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4R)-4-(4-hydroxy-3-nitro-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R)-4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(4-hydroxy-3-nitro-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCCC3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H30N2O6/c1-14-21(24(30)33-16-7-5-4-6-8-16)22(15-9-10-19(28)18(11-15)27(31)32)23-17(26-14)12-25(2,3)13-20(23)29/h9-11,16,21-22,28H,4-8,12-13H2,1-3H3/t21?,22-/m0/s1