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

Systemtic Name: ethyl 1-[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-nitro-5-(2-pyridylamino)-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate CAS Name: 1-[4-nitro-5-(2-pyridinylamino)-2,1,3-benzoxadiazol-7-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]piperidine-4-carboxylate Traditional Name: 1-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]isonipecotic acid ethyl ester Formula: C19H20N6O5 MolecularWeight: 412.3993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C19H20N6O5/c1-2-29-19(26)12-6-9-24(10-7-12)14-11-13(21-15-5-3-4-8-20-15)18(25(27)28)17-16(14)22-30-23-17/h3-5,8,11-12H,2,6-7,9-10H2,1H3,(H,20,21)