1-oxidanyl-6-oxidanylidene-3-(phenylmethyl)-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 1-oxidanyl-6-oxidanylidene-3-(phenylmethyl)-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-benzyl-1-hydroxy-6-oxo-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 1-hydroxy-6-oxo-3-(phenylmethyl)-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-benzyl-1-hydroxy-6-oxo-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-benzyl-1-hydroxy-6-keto-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C(C(C2(CC1(NC2=O)O)C#N)(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O2/c18-9-15-8-17(23,21-14(15)22)7-13(16(15,10-19)11-20)6-12-4-2-1-3-5-12/h1-5,13,23H,6-8H2,(H,21,22)