(E)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-[5-nitro-2-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-nitro-2-pyrrolidino-phenyl)acrylamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)/C#N

InChI

InChI=1S/C22H22N4O3/c1-15-5-6-16(2)20(11-15)24-22(27)18(14-23)12-17-13-19(26(28)29)7-8-21(17)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,27)/b18-12+