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

Systemtic Name: ethyl 1-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-2-carboxylate Openeye Name: ethyl 1-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-2-carboxylate CAS Name: 1-[5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-2-carboxylate Traditional Name: 1-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]pipecolinic acid ethyl ester Formula: C19H26N6O5 MolecularWeight: 418.44694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1CCCCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C19H26N6O5/c1-3-29-19(26)13-6-4-5-7-24(13)14-12-15(23-10-8-22(2)9-11-23)18(25(27)28)17-16(14)20-30-21-17/h12-13H,3-11H2,1-2H3