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

Systemtic Name: ethyl 1-[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate CAS Name: 1-[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(3-hydroxypropylamino)-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-])NCCCO

Isomeric SMILES

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

InChI

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