ethyl 4-ethyl-6-[(5-fluoranyl-2-nitro-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-ethyl-6-[(5-fluoranyl-2-nitro-phenoxy)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-ethyl-6-[(5-fluoro-2-nitro-phenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-ethyl-6-[(5-fluoro-2-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-6-[(5-fluoro-2-nitrophenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-ethyl-6-[(5-fluoro-2-nitro-phenoxy)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18FN3O6 MolecularWeight: 367.329023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H18FN3O6/c1-3-10-14(15(21)25-4-2)11(19-16(22)18-10)8-26-13-7-9(17)5-6-12(13)20(23)24/h5-7,10H,3-4,8H2,1-2H3,(H2,18,19,22)