5-(aziridin-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dinitro-benzamide

Systemtic Name: 5-(aziridin-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dinitrobenzamide Traditional Name: 5-ethylenimino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dinitro-benzamide Formula: C14H14N6O5 MolecularWeight: 346.29816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C(=C2)C(=O)NCCC3=NC=CN3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)NCCC3=NC=CN3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O5/c21-14(17-2-1-13-15-3-4-16-13)9-7-11(18-5-6-18)12(20(24)25)8-10(9)19(22)23/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H,17,21)