2-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]propanedinitrile CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylidene]propanedinitrile IUPAC Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]malononitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C#N

InChI

InChI=1S/C17H13N3O2/c1-11-5-14(6-13(8-18)9-19)12(2)20(11)15-3-4-16-17(7-15)22-10-21-16/h3-7H,10H2,1-2H3