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

Systemtic Name: ethyl 3-[[6-(4-bromanyl-2-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(4-bromo-2-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(4-bromo-2-fluorophenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-bromo-2-fluorophenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-bromo-2-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C20H18BrFN4O6 MolecularWeight: 509.282523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrFN4O6/c1-2-30-17(27)7-8-25(11-14-4-3-9-31-14)19-18(26(28)29)20(24-12-23-19)32-16-6-5-13(21)10-15(16)22/h3-6,9-10,12H,2,7-8,11H2,1H3