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

Systemtic Name: 7-(azepan-1-yl)-N-(4-ethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-(azepan-1-yl)-N-(4-ethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: 7-(1-azepanyl)-N-(4-ethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-(azepan-1-yl)-N-(4-ethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: [7-(azepan-1-yl)-4-nitro-benzofurazan-5-yl]-p-phenetyl-amine Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-2-28-15-9-7-14(8-10-15)21-16-13-17(24-11-5-3-4-6-12-24)18-19(23-29-22-18)20(16)25(26)27/h7-10,13,21H,2-6,11-12H2,1H3