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

Systemtic Name: O5-methyl O3-(4-nitrophenyl) 4-(2,1,3-benzoxadiazol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-methyl O3-(4-nitrophenyl) 4-(2,1,3-benzoxadiazol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 4-(2,1,3-benzoxadiazol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid O5-methyl ester O3-(4-nitrophenyl) ester IUPAC Name: 5-O-methyl 3-O-(4-nitrophenyl) 4-(2,1,3-benzoxadiazol-5-yl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 4-benzofurazan-5-yl-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid O5-methyl ester O3-(4-nitrophenyl) ester Formula: C21H17N5O8 MolecularWeight: 467.38838

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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=NON=C4C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=NON=C4C=C3)C(=O)OC

InChI

InChI=1S/C21H17N5O8/c1-11-17(19(27)31-2)18(12-4-9-15-16(10-12)24-34-23-15)25(20(22-11)32-3)21(28)33-14-7-5-13(6-8-14)26(29)30/h4-10,18H,1-3H3