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

Systemtic Name: tert-butyl 2-[[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(3-ethynylphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(3-ethynylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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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)C#C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c1-6-13-8-7-9-14(10-13)27-18-16(23(25)26)17(20-12-21-18)22(5)11-15(24)28-19(2,3)4/h1,7-10,12H,11H2,2-5H3