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

Systemtic Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) benzoate Openeye Name: (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) benzoate CAS Name: benzoic 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) benzoate Traditional Name: benzoic acid (2,2-dicyano-3-azabicyclo[2.2.1]hept-5-en-3-yl) ester Formula: C15H11N3O2 MolecularWeight: 265.26674

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1N(C2(C#N)C#N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C2C=CC1N(C2(C#N)C#N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H11N3O2/c16-9-15(10-17)12-6-7-13(8-12)18(15)20-14(19)11-4-2-1-3-5-11/h1-7,12-13H,8H2