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

Systemtic Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(4-nitrophenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C22H26N2O6/c1-13-18(21(26)30-10-9-29-4)19(14-5-7-15(8-6-14)24(27)28)20-16(23-13)11-22(2,3)12-17(20)25/h5-8,18-19H,9-12H2,1-4H3/t18?,19-/m1/s1