diheptyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: diheptyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: diheptyl 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 diheptyl ester IUPAC Name: diheptyl 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 diheptyl ester Formula: C28H41N3O6 MolecularWeight: 515.64164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O6/c1-5-7-9-11-15-19-36-27(32)25-21(3)29-22(4)30(28(33)37-20-16-12-10-8-6-2)26(25)23-17-13-14-18-24(23)31(34)35/h13-14,17-18,26H,5-12,15-16,19-20H2,1-4H3