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

Systemtic Name: tert-butyl 2-[[6-(3-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(3-bromophenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(3-bromophenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(3-bromophenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(3-bromophenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C17H19BrN4O5 MolecularWeight: 439.26056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O5/c1-17(2,3)27-13(23)9-21(4)15-14(22(24)25)16(20-10-19-15)26-12-7-5-6-11(18)8-12/h5-8,10H,9H2,1-4H3