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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)N1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC(=O)N1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=CC=C2[N+](=O)[O-]

InChI

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