2-[[4-(5-methyl-2-propan-2-yl-phenoxy)-3-nitro-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-(5-methyl-2-propan-2-yl-phenoxy)-3-nitro-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-(2-isopropyl-5-methyl-phenoxy)-3-nitro-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-(5-methyl-2-propan-2-ylphenoxy)-3-nitrophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(5-methyl-2-propan-2-ylphenoxy)-3-nitrophenyl]methylidene]propanedinitrile Traditional Name: 2-[4-(2-isopropyl-5-methyl-phenoxy)-3-nitro-benzylidene]malononitrile Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

InChI

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