3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: 3-(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: 3-[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: 3-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: 3-(2,5-dimethoxy-4-pyrrolidino-phenyl)-2-(4-nitrophenyl)acrylonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])OC)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])OC)N3CCCC3

InChI

InChI=1S/C21H21N3O4/c1-27-20-13-19(23-9-3-4-10-23)21(28-2)12-16(20)11-17(14-22)15-5-7-18(8-6-15)24(25)26/h5-8,11-13H,3-4,9-10H2,1-2H3