ethyl 3-(2-nitrophenyl)carbonyl-3-azabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: ethyl 3-(2-nitrophenyl)carbonyl-3-azabicyclo[2.2.2]octane-2-carboxylate Openeye Name: ethyl 3-(2-nitrobenzoyl)-3-azabicyclo[2.2.2]octane-2-carboxylate CAS Name: 3-[(2-nitrophenyl)-oxomethyl]-3-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-nitrobenzoyl)-3-azabicyclo[2.2.2]octane-2-carboxylate Traditional Name: 3-(2-nitrobenzoyl)-3-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC(N1C(=O)C3=CC=CC=C3[N+](=O)[O-])CC2

Isomeric SMILES

CCOC(=O)C1C2CCC(N1C(=O)C3=CC=CC=C3[N+](=O)[O-])CC2

InChI

InChI=1S/C17H20N2O5/c1-2-24-17(21)15-11-7-9-12(10-8-11)18(15)16(20)13-5-3-4-6-14(13)19(22)23/h3-6,11-12,15H,2,7-10H2,1H3