ethyl (4R)-2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4R)-2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4R)-2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-ethyl-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-2-ethyl-5-keto-7,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(C1C(=O)OCC)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)(C)C

Isomeric SMILES

CCC1=NC2=C([C@H](C1C(=O)OCC)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C23H26N2O7/c1-5-13-21(22(27)30-6-2)19(20-14(24-13)9-23(3,4)10-16(20)26)12-7-17-18(32-11-31-17)8-15(12)25(28)29/h7-8,19,21H,5-6,9-11H2,1-4H3/t19-,21?/m1/s1