2-[(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)amino]ethanenitrile

Systemtic Name: 2-[(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)amino]ethanenitrile Openeye Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]acetonitrile CAS Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]acetonitrile IUPAC Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]acetonitrile Traditional Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]acetonitrile Formula: C9H7N5O MolecularWeight: 201.18478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N5O/c10-5-6-11-9-12-7-3-1-2-4-8(7)14(15)13-9/h1-4H,6H2,(H,11,12,13)