2-(3-oxidanidylbenzotriazol-3-ium-1-yl)ethanenitrile

Systemtic Name: 2-(3-oxidanidylbenzotriazol-3-ium-1-yl)ethanenitrile Openeye Name: 2-(3-oxidobenzotriazol-3-ium-1-yl)acetonitrile CAS Name: 2-(3-oxido-1-benzotriazol-3-iumyl)acetonitrile IUPAC Name: 2-(3-oxidobenzotriazol-3-ium-1-yl)acetonitrile Traditional Name: 2-(3-oxidobenzotriazol-3-ium-1-yl)acetonitrile Formula: C8H6N4O MolecularWeight: 174.15944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(N=[N+]2[O-])CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(N=[N+]2[O-])CC#N

InChI

InChI=1S/C8H6N4O/c9-5-6-11-7-3-1-2-4-8(7)12(13)10-11/h1-4H,6H2