N-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide Openeye Name: N-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide CAS Name: N-(6-nitro-1,3-benzodioxol-5-yl)-2-pyrrolidinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide Traditional Name: N-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide Formula: C12H13N3O5 MolecularWeight: 279.24872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CC(NC1)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C12H13N3O5/c16-12(7-2-1-3-13-7)14-8-4-10-11(20-6-19-10)5-9(8)15(17)18/h4-5,7,13H,1-3,6H2,(H,14,16)