O3-(4-nitrophenyl) O5-(phenylmethyl) 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-(4-nitrophenyl) O5-(phenylmethyl) 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(4-nitrophenyl) 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid O3-(4-nitrophenyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(4-nitrophenyl) 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid O5-benzyl ester O3-(4-nitrophenyl) ester Formula: C28H23N3O9 MolecularWeight: 545.49692

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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=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O9/c1-17-24(26(32)37-15-18-6-4-3-5-7-18)25(19-8-13-22-23(14-19)39-16-38-22)30(27(29-17)36-2)28(33)40-21-11-9-20(10-12-21)31(34)35/h3-14,25H,15-16H2,1-2H3