2-[[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]propanedinitrile Traditional Name: 2-[4-(4-tert-butylphenoxy)-3-nitro-benzylidene]malononitrile Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3/c1-20(2,3)16-5-7-17(8-6-16)26-19-9-4-14(10-15(12-21)13-22)11-18(19)23(24)25/h4-11H,1-3H3