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

Systemtic Name: O3-(cyclopropylmethyl) O5-ethyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-(cyclopropylmethyl) O5-ethyl 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-(cyclopropylmethyl) ester O5-ethyl ester IUPAC Name: 3-O-(cyclopropylmethyl) 5-O-ethyl 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-(cyclopropylmethyl) ester O5-ethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3CC3)C)C

InChI

InChI=1S/C20H23N3O6/c1-4-28-19(24)17-12(2)21-13(3)22(20(25)29-11-14-9-10-14)18(17)15-7-5-6-8-16(15)23(26)27/h5-8,14,18H,4,9-11H2,1-3H3