O3-(4-nitrophenyl) O5-(phenylmethyl) 4-[3,4-bis(fluoranyl)phenyl]-2-methoxy-6-(methoxymethyl)-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-(4-nitrophenyl) O5-(phenylmethyl) 4-[3,4-bis(fluoranyl)phenyl]-2-methoxy-6-(methoxymethyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(4-nitrophenyl) 4-(3,4-difluorophenyl)-2-methoxy-6-(methoxymethyl)-4H-pyrimidine-3,5-dicarboxylate CAS Name: 4-(3,4-difluorophenyl)-2-methoxy-6-(methoxymethyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-(4-nitrophenyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-2-methoxy-6-(methoxymethyl)-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 4-(3,4-difluorophenyl)-2-methoxy-6-(methoxymethyl)-4H-pyrimidine-3,5-dicarboxylic acid O5-benzyl ester O3-(4-nitrophenyl) ester Formula: C28H23F2N3O8 MolecularWeight: 567.494326

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COCC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H23F2N3O8/c1-38-16-23-24(26(34)40-15-17-6-4-3-5-7-17)25(18-8-13-21(29)22(30)14-18)32(27(31-23)39-2)28(35)41-20-11-9-19(10-12-20)33(36)37/h3-14,25H,15-16H2,1-2H3