N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-homopiperonyl-5-nitro-2-pyrrolidino-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O5/c24-20(21-8-7-14-3-6-18-19(11-14)28-13-27-18)16-12-15(23(25)26)4-5-17(16)22-9-1-2-10-22/h3-6,11-12H,1-2,7-10,13H2,(H,21,24)