methyl 4-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

InChI

InChI=1S/C17H18N4O6/c1-25-17(22)11-4-6-12(7-5-11)27-16-14(21(23)24)15(19-10-20-16)18-9-13-3-2-8-26-13/h4-7,10,13H,2-3,8-9H2,1H3,(H,18,19,20)