ethyl 3-[[6-[2,6-bis(fluoranyl)-4-propanoyl-phenoxy]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-[2,6-bis(fluoranyl)-4-propanoyl-phenoxy]-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(2,6-difluoro-4-propanoyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-[2,6-difluoro-4-(1-oxopropyl)phenoxy]-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2,6-difluoro-4-propanoylphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(2,6-difluoro-4-propionyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C23H22F2N4O7 MolecularWeight: 504.440186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C(=C1)F)OC2=NC=NC(=C2[N+](=O)[O-])N(CCC(=O)OCC)CC3=CC=CO3)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C(=C1)F)OC2=NC=NC(=C2[N+](=O)[O-])N(CCC(=O)OCC)CC3=CC=CO3)F

InChI

InChI=1S/C23H22F2N4O7/c1-3-18(30)14-10-16(24)21(17(25)11-14)36-23-20(29(32)33)22(26-13-27-23)28(8-7-19(31)34-4-2)12-15-6-5-9-35-15/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3