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

Systemtic Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[5-nitro-2-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-(5-nitro-2-pyrrolidino-phenyl)acrylamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)/C#N

InChI

InChI=1S/C21H20N4O4/c1-29-20-7-3-2-6-18(20)23-21(26)16(14-22)12-15-13-17(25(27)28)8-9-19(15)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,23,26)/b16-12+