ethyl 4-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate CAS Name: 4-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[2-hydroxyethyl(methyl)amino]-7-nitro-benzofurazan-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22N6O6 MolecularWeight: 394.38248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O6/c1-3-27-16(24)21-6-4-20(5-7-21)11-10-12(19(2)8-9-23)15(22(25)26)14-13(11)17-28-18-14/h10,23H,3-9H2,1-2H3