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

Systemtic Name: tert-butyl 2-[[6-(4-bromanyl-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-bromo-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(4-bromo-2-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-bromo-2-methoxyphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-bromo-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C18H21BrN4O6 MolecularWeight: 469.28654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4O6/c1-18(2,3)29-14(24)9-22(4)16-15(23(25)26)17(21-10-20-16)28-12-7-6-11(19)8-13(12)27-5/h6-8,10H,9H2,1-5H3