4-methyl-N-(3-nitrosobut-2-en-2-yl)aniline; nickel; dihydrate

Systemtic Name: 4-methyl-N-(3-nitrosobut-2-en-2-yl)aniline; nickel; dihydrate Openeye Name: 4-methyl-N-(1-methyl-2-nitroso-prop-1-enyl)aniline; nickel; dihydrate CAS Name: 4-methyl-N-(3-nitrosobut-2-en-2-yl)aniline; nickel; dihydrate IUPAC Name: 4-methyl-N-(3-nitrosobut-2-en-2-yl)aniline; nickel; dihydrate Traditional Name: (1-methyl-2-nitroso-prop-1-enyl)-(p-tolyl)amine; nickel; dihydrate Formula: C22H32N4NiO4 MolecularWeight: 475.20728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C)N=O)C.CC1=CC=C(C=C1)NC(=C(C)N=O)C.O.O.[Ni]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C(C)N=O)C.CC1=CC=C(C=C1)NC(=C(C)N=O)C.O.O.[Ni]

InChI

InChI=1S/2C11H14N2O.Ni.2H2O/c2*1-8-4-6-11(7-5-8)12-9(2)10(3)13-14;;;/h2*4-7,12H,1-3H3;;2*1H2