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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(C1C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CCC1=NC2=C([C@@H](C1C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C22H26N2O5/c1-5-15-20(21(26)29-6-2)18(13-7-9-14(10-8-13)24(27)28)19-16(23-15)11-22(3,4)12-17(19)25/h7-10,18,20H,5-6,11-12H2,1-4H3/t18-,20?/m0/s1