2-[1-(4-methylphenyl)-2-nitro-ethyl]propanedinitrile

Systemtic Name: 2-[1-(4-methylphenyl)-2-nitro-ethyl]propanedinitrile Openeye Name: 2-[2-nitro-1-(p-tolyl)ethyl]propanedinitrile CAS Name: 2-[1-(4-methylphenyl)-2-nitroethyl]propanedinitrile IUPAC Name: 2-[1-(4-methylphenyl)-2-nitroethyl]propanedinitrile Traditional Name: 2-[2-nitro-1-(p-tolyl)ethyl]malononitrile Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C#N)C#N

InChI

InChI=1S/C12H11N3O2/c1-9-2-4-10(5-3-9)12(8-15(16)17)11(6-13)7-14/h2-5,11-12H,8H2,1H3