5-(azepan-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(azepan-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(3-nitrophenyl)amine Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c25-23(26)13-7-5-6-12(10-13)19-14-11-15(22-8-3-1-2-4-9-22)18(24(27)28)17-16(14)20-29-21-17/h5-7,10-11,19H,1-4,8-9H2