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

Systemtic Name: 2-propoxyethyl (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-propoxyethyl (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-propoxyethyl ester IUPAC Name: 2-propoxyethyl (4S)-2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-nitrophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-propoxyethyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3[N+](=O)[O-])C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCOCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3[N+](=O)[O-])C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C24H30N2O6/c1-5-10-31-11-12-32-23(28)20-15(2)25-17-13-24(3,4)14-19(27)22(17)21(20)16-8-6-7-9-18(16)26(29)30/h6-9,21,25H,5,10-14H2,1-4H3/t21-/m1/s1