ethyl 4-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate CAS Name: 4-[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26N6O5 MolecularWeight: 418.44694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C19H26N6O5/c1-2-29-19(26)24-11-9-23(10-12-24)14-13-15(22-7-5-3-4-6-8-22)18(25(27)28)17-16(14)20-30-21-17/h13H,2-12H2,1H3