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

Systemtic Name: O5-(cyclopropylmethyl) O3-heptyl 2,6-dimethyl-4-(2-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-(cyclopropylmethyl) 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-(cyclopropylmethyl) ester O3-heptyl ester IUPAC Name: 5-O-(cyclopropylmethyl) 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-(cyclopropylmethyl) ester O3-heptyl ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)N1C(C(=C(N=C1C)C)C(=O)OCC2CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC(=O)N1C(C(=C(N=C1C)C)C(=O)OCC2CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H33N3O6/c1-4-5-6-7-10-15-33-25(30)27-18(3)26-17(2)22(24(29)34-16-19-13-14-19)23(27)20-11-8-9-12-21(20)28(31)32/h8-9,11-12,19,23H,4-7,10,13-16H2,1-3H3