1-azabicyclo[2.2.2]octan-3-yl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: quinuclidin-3-yl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid quinuclidin-3-yl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CN4CCC3CC4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CN4CCC3CC4

InChI

InChI=1S/C21H24N4O6/c1-12-18(21(26)31-17-11-23-8-6-14(17)7-9-23)19(20(25(29)30)13(2)22-12)15-4-3-5-16(10-15)24(27)28/h3-5,10,14,17,19,22H,6-9,11H2,1-2H3