O3-ethyl O5-heptyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-heptyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-heptyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-ethyl ester O5-heptyl ester IUPAC Name: 3-O-ethyl 5-O-heptyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-ethyl ester O5-heptyl ester Formula: C23H31N3O6 MolecularWeight: 445.50874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C)C

InChI

InChI=1S/C23H31N3O6/c1-5-7-8-9-12-15-32-22(27)20-16(3)24-17(4)25(23(28)31-6-2)21(20)18-13-10-11-14-19(18)26(29)30/h10-11,13-14,21H,5-9,12,15H2,1-4H3