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4-(azepan-1-yl)-5,7-dinitro-2,1,3-benzoxadiazole

4-(azepan-1-yl)-5,7-dinitro-2,1,3-benzoxadiazole

Systemtic Name:4-(azepan-1-yl)-5,7-dinitro-2,1,3-benzoxadiazole
Openeye Name:4-(azepan-1-yl)-5,7-dinitro-2,1,3-benzoxadiazole
CAS Name:4-(1-azepanyl)-5,7-dinitro-2,1,3-benzoxadiazole
IUPAC Name:4-(azepan-1-yl)-5,7-dinitro-2,1,3-benzoxadiazole
Traditional Name:4-(azepan-1-yl)-5,7-dinitro-benzofurazan
Formula: C12H13N5O5
MolecularWeight: 307.26212
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C12H13N5O5/c18-16(19)8-7-9(17(20)21)12(11-10(8)13-22-14-11)15-5-3-1-2-4-6-15/h7H,1-6H2


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