tert-butyl 2-[[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[(6-benzofurazan-5-yloxy-5-nitro-pyrimidin-4-yl)-methyl-amino]acetic acid tert-butyl ester Formula: C17H18N6O6 MolecularWeight: 402.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=NON=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=NON=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O6/c1-17(2,3)28-13(24)8-22(4)15-14(23(25)26)16(19-9-18-15)27-10-5-6-11-12(7-10)21-29-20-11/h5-7,9H,8H2,1-4H3