5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(azepan-1-yl)-4-nitro-benzofurazan Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3/c17-16(18)12-10(15-7-3-1-2-4-8-15)6-5-9-11(12)14-19-13-9/h5-6H,1-4,7-8H2