(E)-1-(cyanomethylamino)-2-diazonio-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-1-(cyanomethylamino)-2-diazonio-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-1-(cyanomethylamino)-2-diazonio-3-oxo-but-1-en-1-olate CAS Name: (E)-1-(cyanomethylamino)-2-diazonio-3-oxo-1-buten-1-olate IUPAC Name: (E)-1-(cyanomethylamino)-2-diazonio-3-oxobut-1-en-1-olate Traditional Name: (E)-1-(cyanomethylamino)-2-diazonio-3-keto-but-1-en-1-olate Formula: C6H6N4O2 MolecularWeight: 166.13744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C(/NCC#N)\[O-])/[N+]#N

InChI

InChI=1S/C6H6N4O2/c1-4(11)5(10-8)6(12)9-3-2-7/h3H2,1H3,(H-,9,11,12)