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

Systemtic Name: cyclopentyl (4R)-2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (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 cyclopentyl ester IUPAC Name: cyclopentyl (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 cyclopentyl ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCC3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C24H28N2O6/c1-13-20(23(29)32-15-6-4-5-7-15)21(14-8-9-18(27)17(10-14)26(30)31)22-16(25-13)11-24(2,3)12-19(22)28/h8-10,15,20-21,27H,4-7,11-12H2,1-3H3/t20?,21-/m0/s1