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

Systemtic Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]propanedinitrile Openeye Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]propanedinitrile CAS Name: 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedinitrile IUPAC Name: 2-[1-(4-methoxyphenyl)-2-nitroethyl]propanedinitrile Traditional Name: 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]malononitrile Formula: C12H11N3O3 MolecularWeight: 245.23404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C#N)C#N

InChI

InChI=1S/C12H11N3O3/c1-18-11-4-2-9(3-5-11)12(8-15(16)17)10(6-13)7-14/h2-5,10,12H,8H2,1H3