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

Systemtic Name: 7-(azepan-1-yl)-N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-(azepan-1-yl)-N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: 7-(1-azepanyl)-N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-(azepan-1-yl)-N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: [7-(azepan-1-yl)-4-nitro-benzofurazan-5-yl]-(2-methoxyphenyl)amine Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4/c1-27-16-9-5-4-8-13(16)20-14-12-15(23-10-6-2-3-7-11-23)17-18(22-28-21-17)19(14)24(25)26/h4-5,8-9,12,20H,2-3,6-7,10-11H2,1H3