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

Systemtic Name: ethyl 3-[[6-(4-cyano-3-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(4-cyano-3-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(4-cyano-3-fluorophenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-cyano-3-fluorophenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-cyano-3-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C21H18FN5O6 MolecularWeight: 455.395923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN5O6/c1-2-31-18(28)7-8-26(12-16-4-3-9-32-16)20-19(27(29)30)21(25-13-24-20)33-15-6-5-14(11-23)17(22)10-15/h3-6,9-10,13H,2,7-8,12H2,1H3