4-(azepan-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-(azepan-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-(1-azepanyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(azepan-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(azepan-1-yl)-4-nitro-1-oxido-benzofurazan-1-ium Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4/c17-15(18)9-5-6-10(12-11(9)13-20-16(12)19)14-7-3-1-2-4-8-14/h5-6H,1-4,7-8H2