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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC

InChI

InChI=1S/C23H26N2O7/c1-5-14-20(22(27)30-6-2)19(21-15(24-14)7-12(26)10-23(21,3)4)13-8-17-18(32-11-31-17)9-16(13)25(28)29/h8-9,19,24H,5-7,10-11H2,1-4H3