(2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate

Systemtic Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate Openeye Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) ester IUPAC Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) ester Formula: C15H10N4O4 MolecularWeight: 310.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O4/c16-8-15(9-17)11-3-6-13(7-11)18(15)23-14(20)10-1-4-12(5-2-10)19(21)22/h1-6,11,13H,7H2