ethyl 4-(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)piperazine-1-carboxylate CAS Name: 4-[4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-yl)piperazine-1-carboxylate Traditional Name: 4-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C17H22N6O5 MolecularWeight: 390.39378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C17H22N6O5/c1-2-27-17(24)22-9-7-21(8-10-22)12-11-13(20-5-3-4-6-20)16(23(25)26)15-14(12)18-28-19-15/h11H,2-10H2,1H3