tert-butyl 2-[[6-(3-acetyloxyphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(3-acetyloxyphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(3-acetoxyphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(3-acetyloxyphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(3-acetyloxyphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(3-acetoxyphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C19H22N4O7 MolecularWeight: 418.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C19H22N4O7/c1-12(24)28-13-7-6-8-14(9-13)29-18-16(23(26)27)17(20-11-21-18)22(5)10-15(25)30-19(2,3)4/h6-9,11H,10H2,1-5H3