2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]propanedinitrile

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]propanedinitrile Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]propanedinitrile CAS Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]propanedinitrile IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]propanedinitrile Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl]malononitrile Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-19-12-4-3-9(5-13(12)20-2)11(8-16(17)18)10(6-14)7-15/h3-5,10-11H,8H2,1-2H3