cyclopentyl 2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl 2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 4-(4-hydroxy-3-nitro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC4CCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC4CCCC4

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/h8-11,15,21-22,25,27H,4-7,12H2,1-3H3