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

Systemtic Name: (4-nitrophenyl) 5-ethanoyl-2-methoxy-6-methyl-4-[3,4,5-tris(fluoranyl)phenyl]-4H-pyrimidine-3-carboxylate Openeye Name: (4-nitrophenyl) 5-acetyl-2-methoxy-6-methyl-4-(3,4,5-trifluorophenyl)-4H-pyrimidine-3-carboxylate CAS Name: 5-acetyl-2-methoxy-6-methyl-4-(3,4,5-trifluorophenyl)-4H-pyrimidine-3-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-acetyl-2-methoxy-6-methyl-4-(3,4,5-trifluorophenyl)-4H-pyrimidine-3-carboxylate Traditional Name: 5-acetyl-2-methoxy-6-methyl-4-(3,4,5-trifluorophenyl)-4H-pyrimidine-3-carboxylic acid (4-nitrophenyl) ester Formula: C21H16F3N3O6 MolecularWeight: 463.36345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C(=C3)F)F)F)C(=O)C

Isomeric SMILES

CC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C(=C3)F)F)F)C(=O)C

InChI

InChI=1S/C21H16F3N3O6/c1-10-17(11(2)28)19(12-8-15(22)18(24)16(23)9-12)26(20(25-10)32-3)21(29)33-14-6-4-13(5-7-14)27(30)31/h4-9,19H,1-3H3