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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O6/c1-3-27-17(24)11-5-4-6-21(10-11)12-9-13(20(2)7-8-23)16(22(25)26)15-14(12)18-28-19-15/h9,11,23H,3-8,10H2,1-2H3