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

Systemtic Name: ethyl 1-[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate CAS Name: 1-[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(2-hydroxyethylamino)-7-nitro-benzofurazan-4-yl]nipecotic acid ethyl ester Formula: C16H21N5O6 MolecularWeight: 379.36784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCO

InChI

InChI=1S/C16H21N5O6/c1-2-26-16(23)10-4-3-6-20(9-10)12-8-11(17-5-7-22)15(21(24)25)14-13(12)18-27-19-14/h8,10,17,22H,2-7,9H2,1H3