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

Systemtic Name: ethyl 1-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate CAS Name: 1-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-hydroxyethyl(methyl)amino]-7-nitro-benzofurazan-4-yl]isonipecotic acid ethyl ester Formula: C17H23N5O6 MolecularWeight: 393.39442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N(C)CCO

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N(C)CCO

InChI

InChI=1S/C17H23N5O6/c1-3-27-17(24)11-4-6-21(7-5-11)12-10-13(20(2)8-9-23)16(22(25)26)15-14(12)18-28-19-15/h10-11,23H,3-9H2,1-2H3