1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-nitrophenyl)methyl]aziridine-2-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-nitrophenyl)methyl]aziridine-2-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-nitrophenyl)methyl]aziridine-2-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-nitrophenyl)methyl]-2-aziridinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-N-[(2-nitrophenyl)methyl]aziridine-2-carboxamide Traditional Name: N-(2-nitrobenzyl)-1-piperonyl-ethylenimine-2-carboxamide Formula: C18H17N3O5 MolecularWeight: 355.34468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N1CC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C(N1CC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c22-18(19-8-13-3-1-2-4-14(13)21(23)24)15-10-20(15)9-12-5-6-16-17(7-12)26-11-25-16/h1-7,15H,8-11H2,(H,19,22)