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

Systemtic Name: 3-azabicyclo[2.2.2]octan-3-yl 3,6-dimethyl-5-nitro-4-(3-nitrophenyl)-2,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: 3-azabicyclo[2.2.2]octan-3-yl 3,6-dimethyl-5-nitro-4-(3-nitrophenyl)-2,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 3,6-dimethyl-5-nitro-4-(3-nitrophenyl)-2,4-dihydro-1H-pyridine-3-carboxylic acid 3-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 3-azabicyclo[2.2.2]octan-3-yl 3,6-dimethyl-5-nitro-4-(3-nitrophenyl)-2,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 3,6-dimethyl-5-nitro-4-(3-nitrophenyl)-2,4-dihydro-1H-pyridine-3-carboxylic acid 3-azabicyclo[2.2.2]octan-3-yl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CN1)(C)C(=O)ON2CC3CCC2CC3)C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(CN1)(C)C(=O)ON2CC3CCC2CC3)C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6/c1-13-19(25(29)30)18(15-4-3-5-17(10-15)24(27)28)21(2,12-22-13)20(26)31-23-11-14-6-8-16(23)9-7-14/h3-5,10,14,16,18,22H,6-9,11-12H2,1-2H3