5-(aziridin-1-yl)-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide

Systemtic Name: 5-(aziridin-1-yl)-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-N-[2-(1-imidazolyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-(2-imidazol-1-ylethyl)-2,4-dinitrobenzamide Traditional Name: 5-ethylenimino-N-(2-imidazol-1-ylethyl)-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)NCCN3C=CN=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)NCCN3C=CN=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O5/c21-14(16-2-4-17-3-1-15-9-17)10-7-12(18-5-6-18)13(20(24)25)8-11(10)19(22)23/h1,3,7-9H,2,4-6H2,(H,16,21)