[(2R)-2-aminocarbonyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-nitrobenzoate

Systemtic Name: [(2R)-2-aminocarbonyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-nitrobenzoate Openeye Name: [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] ester IUPAC Name: [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R)-2-carbamoyl-2-cyano-3-azabicyclo[2.2.1]hept-5-en-3-yl] ester Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1N(C2(C#N)C(=O)N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2C=CC1N([C@]2(C#N)C(=O)N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5/c16-8-15(14(17)21)10-3-6-12(7-10)18(15)24-13(20)9-1-4-11(5-2-9)19(22)23/h1-6,10,12H,7H2,(H2,17,21)/t10?,12?,15-/m0/s1