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

Systemtic Name: tert-butyl 2-[[6-(1,3-benzodioxol-5-yloxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(1,3-benzodioxol-5-yloxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(1,3-benzodioxol-5-yloxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(1,3-benzodioxol-5-yloxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(1,3-benzodioxol-5-yloxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H20N4O7 MolecularWeight: 404.374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7/c1-18(2,3)29-14(23)8-21(4)16-15(22(24)25)17(20-9-19-16)28-11-5-6-12-13(7-11)27-10-26-12/h5-7,9H,8,10H2,1-4H3