tert-butyl 2-[[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(2,2-dimethylcoumaran-7-yl)oxy-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(CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H26N4O6/c1-20(2,3)30-15(26)11-24(6)18-16(25(27)28)19(23-12-22-18)29-14-9-7-8-13-10-21(4,5)31-17(13)14/h7-9,12H,10-11H2,1-6H3