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

Systemtic Name: ethyl 1-[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate CAS Name: 1-[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(dimethylamino)-7-nitro-benzofurazan-4-yl]isonipecotic acid ethyl ester Formula: C16H21N5O5 MolecularWeight: 363.36844

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5/c1-4-25-16(22)10-5-7-20(8-6-10)11-9-12(19(2)3)15(21(23)24)14-13(11)17-26-18-14/h9-10H,4-8H2,1-3H3