ethyl (2R)-2-cyano-3-(4-nitrophenyl)carbonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: ethyl (2R)-2-cyano-3-(4-nitrophenyl)carbonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: ethyl (2R)-2-cyano-3-(4-nitrobenzoyl)oxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (2R)-2-cyano-3-[(4-nitrophenyl)-oxomethoxy]-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-(4-nitrobenzoyl)oxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (2R)-2-cyano-3-(4-nitrobenzoyl)oxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CC(N1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C2)C#N

Isomeric SMILES

CCOC(=O)[C@@]1(C2CC(N1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C2)C#N

InChI

InChI=1S/C17H15N3O6/c1-2-25-16(22)17(10-18)12-5-8-14(9-12)19(17)26-15(21)11-3-6-13(7-4-11)20(23)24/h3-8,12,14H,2,9H2,1H3/t12?,14?,17-/m0/s1