(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[4-(pyrrolidine-1-carbonyl)benzyl]acrylamide Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C22H21N3O6/c26-21(8-7-17-11-19-20(31-14-30-19)12-18(17)25(28)29)23-13-15-3-5-16(6-4-15)22(27)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13-14H2,(H,23,26)/b8-7+