pentyl (4R)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl (4R)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4R)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(4-nitrophenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O5/c1-5-6-7-12-31-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-8-10-17(11-9-16)26(29)30/h8-11,20-21H,5-7,12-14H2,1-4H3/t20?,21-/m0/s1