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

Systemtic Name: ethyl 4-[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-nitro-5-(2-pyridylamino)-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate CAS Name: 4-[4-nitro-5-(2-pyridinylamino)-2,1,3-benzoxadiazol-7-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate Traditional Name: 4-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H19N7O5 MolecularWeight: 413.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C18H19N7O5/c1-2-29-18(26)24-9-7-23(8-10-24)13-11-12(20-14-5-3-4-6-19-14)17(25(27)28)16-15(13)21-30-22-16/h3-6,11H,2,7-10H2,1H3,(H,19,20)