2-[[2,5-dimethyl-1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrol-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[2,5-dimethyl-1-(3-nitro-4-piperidin-1-yl-phenyl)pyrrol-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[2,5-dimethyl-1-[3-nitro-4-(1-piperidyl)phenyl]pyrrol-3-yl]methylene]propanedinitrile CAS Name: 2-[[2,5-dimethyl-1-[3-nitro-4-(1-piperidinyl)phenyl]-3-pyrrolyl]methylidene]propanedinitrile IUPAC Name: 2-[[2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[2,5-dimethyl-1-(3-nitro-4-piperidino-phenyl)pyrrol-3-yl]methylene]malononitrile Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)C=C(C#N)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)C=C(C#N)C#N

InChI

InChI=1S/C21H21N5O2/c1-15-10-18(11-17(13-22)14-23)16(2)25(15)19-6-7-20(21(12-19)26(27)28)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3