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

Systemtic Name: tert-butyl 2-[[6-(2-ethanoyl-4,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2-acetyl-4,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(2-acetyl-4,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(2-acetyl-4,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(2-acetyl-4,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)C)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)C)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H26N4O6/c1-12-8-15(14(3)26)16(9-13(12)2)30-20-18(25(28)29)19(22-11-23-20)24(7)10-17(27)31-21(4,5)6/h8-9,11H,10H2,1-7H3