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

Systemtic Name: tert-butyl 2-[[6-(3-ethanoylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(3-acetylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(3-acetylphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(3-acetylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(3-acetylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O6/c1-12(24)13-7-6-8-14(9-13)28-18-16(23(26)27)17(20-11-21-18)22(5)10-15(25)29-19(2,3)4/h6-9,11H,10H2,1-5H3