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

Systemtic Name: tert-butyl 2-[methyl-[6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[6-(4-methylsulfonylphenoxy)-5-nitro-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[6-(4-methylsulfonylphenoxy)-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(4-mesylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O7S/c1-18(2,3)29-14(23)10-21(4)16-15(22(24)25)17(20-11-19-16)28-12-6-8-13(9-7-12)30(5,26)27/h6-9,11H,10H2,1-5H3