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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-pyrrolidino-benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O5/c22-18(19-12-3-6-16-17(9-12)26-11-25-16)14-10-13(21(23)24)4-5-15(14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,11H2,(H,19,22)