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

Systemtic Name: ethyl 1-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylate CAS Name: 1-[5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylate Traditional Name: 1-(6-morpholino-7-nitro-benzofurazan-4-yl)nipecotic acid ethyl ester Formula: C18H23N5O6 MolecularWeight: 405.40512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C18H23N5O6/c1-2-28-18(24)12-4-3-5-22(11-12)13-10-14(21-6-8-27-9-7-21)17(23(25)26)16-15(13)19-29-20-16/h10,12H,2-9,11H2,1H3