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

Systemtic Name: ethyl 3-[[6-(2-ethanoyl-5-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(2-acetyl-5-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(2-acetyl-5-fluorophenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2-acetyl-5-fluorophenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(2-acetyl-5-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C22H21FN4O7 MolecularWeight: 472.423143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=C(C=CC(=C3)F)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=C(C=CC(=C3)F)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN4O7/c1-3-32-19(29)8-9-26(12-16-5-4-10-33-16)21-20(27(30)31)22(25-13-24-21)34-18-11-15(23)6-7-17(18)14(2)28/h4-7,10-11,13H,3,8-9,12H2,1-2H3