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

Systemtic Name: 5-(azepan-1-yl)-N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(2,1,3-benzoxadiazol-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-benzofurazan-4-yl-amine Formula: C18H17N7O4 MolecularWeight: 395.37208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC5=NON=C54)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC5=NON=C54)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O4/c26-25(27)18-14(24-8-3-1-2-4-9-24)10-13(16-17(18)23-29-22-16)19-11-6-5-7-12-15(11)21-28-20-12/h5-7,10,19H,1-4,8-9H2