tert-butyl 2-[[6-(4-ethanoyl-2-prop-2-enyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(4-ethanoyl-2-prop-2-enyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-acetyl-2-allyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(4-acetyl-2-prop-2-enylphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-acetyl-2-prop-2-enylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-acetyl-2-allyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c1-7-8-16-11-15(14(2)27)9-10-17(16)31-21-19(26(29)30)20(23-13-24-21)25(6)12-18(28)32-22(3,4)5/h7,9-11,13H,1,8,12H2,2-6H3