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

Systemtic Name: 5-(azepan-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(5-methoxy-2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(5-methoxy-2-methyl-4-nitro-phenyl)amine Formula: C20H22N6O6 MolecularWeight: 442.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O6/c1-12-9-15(25(27)28)17(31-2)11-13(12)21-14-10-16(24-7-5-3-4-6-8-24)20(26(29)30)19-18(14)22-32-23-19/h9-11,21H,3-8H2,1-2H3