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

Systemtic Name: butyl (4R)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-5-6-11-30-22(27)19-14(2)24-17-12-23(3,4)13-18(26)21(17)20(19)15-7-9-16(10-8-15)25(28)29/h7-10,19-20H,5-6,11-13H2,1-4H3/t19?,20-/m0/s1