N-(3-imidazol-1-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[3-(1-imidazolyl)propyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: 3-imidazol-1-ylpropyl-(7-nitrobenzofurazan-4-yl)amine Formula: C12H12N6O3 MolecularWeight: 288.26208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3/c19-18(20)10-3-2-9(11-12(10)16-21-15-11)14-4-1-6-17-7-5-13-8-17/h2-3,5,7-8,14H,1,4,6H2