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

Systemtic Name: ethyl 2-(2-azanylethoxymethyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-(2-aminoethoxymethyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-(2-aminoethoxymethyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-aminoethoxymethyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-(2-aminoethoxymethyl)-5-keto-7,7-dimethyl-4-(3-nitrophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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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)CC(C2)(C)C)COCCN

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6/c1-4-32-22(28)21-17(13-31-9-8-24)25-16-11-23(2,3)12-18(27)20(16)19(21)14-6-5-7-15(10-14)26(29)30/h5-7,10,19,25H,4,8-9,11-13,24H2,1-3H3