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

Systemtic Name: 5-(azepan-1-yl)-N-(2,5-dimethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(2,5-dimethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(2,5-dimethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(2,5-dimethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C20H23N5O5/c1-28-13-7-8-17(29-2)14(11-13)21-15-12-16(24-9-5-3-4-6-10-24)20(25(26)27)19-18(15)22-30-23-19/h7-8,11-12,21H,3-6,9-10H2,1-2H3