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

Systemtic Name: tert-butyl 2-[[6-[(2-ethanoyl-1-benzofuran-7-yl)oxy]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(2-acetylbenzofuran-7-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(2-acetyl-7-benzofuranyl)oxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[(2-acetyl-1-benzofuran-7-yl)oxy]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(2-acetylbenzofuran-7-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C21H22N4O7/c1-12(26)15-9-13-7-6-8-14(18(13)30-15)31-20-17(25(28)29)19(22-11-23-20)24(5)10-16(27)32-21(2,3)4/h6-9,11H,10H2,1-5H3