benzotriazol-1-ide; (Z)-2-ethanoyl-3-oxidanyl-but-2-enenitrile; nickel; dihydrate

Systemtic Name: benzotriazol-1-ide; (Z)-2-ethanoyl-3-oxidanyl-but-2-enenitrile; nickel; dihydrate Openeye Name: (Z)-2-acetyl-3-hydroxy-but-2-enenitrile; benzotriazol-1-ide; nickel; dihydrate CAS Name: (Z)-2-acetyl-3-hydroxy-2-butenenitrile; benzotriazol-1-ide; nickel; dihydrate IUPAC Name: (Z)-2-acetyl-3-hydroxybut-2-enenitrile; benzotriazol-1-ide; nickel; dihydrate Traditional Name: (Z)-2-acetyl-3-hydroxy-but-2-enenitrile; benzotriazol-1-ide; nickel; dihydrate Formula: C12H15N4NiO4- MolecularWeight: 337.9653

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C)O.C1=CC=C2C(=C1)[N-]N=N2.O.O.[Ni]

Isomeric SMILES

C/C(=C(\C#N)/C(=O)C)/O.C1=CC=C2C(=C1)[N-]N=N2.O.O.[Ni]

InChI

InChI=1S/C6H4N3.C6H7NO2.Ni.2H2O/c1-2-4-6-5(3-1)7-9-8-6;1-4(8)6(3-7)5(2)9;;;/h1-4H;8H,1-2H3;;2*1H2/q-1;;;;/b;6-4-;;;