ethyl 2-ethyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-ethyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-ethyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-ethyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-ethyl-5-keto-7,7-dimethyl-4-(2-nitrophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H26N2O5/c1-5-14-20(21(26)29-6-2)18(13-9-7-8-10-16(13)24(27)28)19-15(23-14)11-22(3,4)12-17(19)25/h7-10,18,23H,5-6,11-12H2,1-4H3