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

Systemtic Name: ethyl 2,6,6-trimethyl-4-(2-nitrophenyl)-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,6,6-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,6,6-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6,6-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,6,6-trimethyl-4-(2-nitrophenyl)-1,4,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3[N+](=O)[O-])C(=O)C(CC2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3[N+](=O)[O-])C(=O)C(CC2)(C)C)C

InChI

InChI=1S/C21H24N2O5/c1-5-28-20(25)16-12(2)22-14-10-11-21(3,4)19(24)18(14)17(16)13-8-6-7-9-15(13)23(26)27/h6-9,17,22H,5,10-11H2,1-4H3