(4-nitrophenyl) 4-[2,4-bis(fluoranyl)phenyl]-5-ethanoyl-6-ethyl-2-methoxy-4H-pyrimidine-3-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[2,4-bis(fluoranyl)phenyl]-5-ethanoyl-6-ethyl-2-methoxy-4H-pyrimidine-3-carboxylate Openeye Name: (4-nitrophenyl) 5-acetyl-4-(2,4-difluorophenyl)-6-ethyl-2-methoxy-4H-pyrimidine-3-carboxylate CAS Name: 5-acetyl-4-(2,4-difluorophenyl)-6-ethyl-2-methoxy-4H-pyrimidine-3-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-acetyl-4-(2,4-difluorophenyl)-6-ethyl-2-methoxy-4H-pyrimidine-3-carboxylate Traditional Name: 5-acetyl-4-(2,4-difluorophenyl)-6-ethyl-2-methoxy-4H-pyrimidine-3-carboxylic acid (4-nitrophenyl) ester Formula: C22H19F2N3O6 MolecularWeight: 459.399566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)F)F)C(=O)C

Isomeric SMILES

CCC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)F)F)C(=O)C

InChI

InChI=1S/C22H19F2N3O6/c1-4-18-19(12(2)28)20(16-10-5-13(23)11-17(16)24)26(21(25-18)32-3)22(29)33-15-8-6-14(7-9-15)27(30)31/h5-11,20H,4H2,1-3H3