N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3,5-dinitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c19-13(15-2-1-4-16-5-3-14-9-16)10-6-11(17(20)21)8-12(7-10)18(22)23/h3,5-9H,1-2,4H2,(H,15,19)