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

Systemtic Name: methyl (2R)-2-cyano-3-(4-nitrophenyl)carbonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O6/c1-24-15(21)16(9-17)11-4-7-13(8-11)18(16)25-14(20)10-2-5-12(6-3-10)19(22)23/h2-7,11,13H,8H2,1H3/t11?,13?,16-/m0/s1