O5-(cyclopropylmethyl) O3-heptyl 2,6-dimethyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O5-(cyclopropylmethyl) O3-heptyl 2,6-dimethyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O5-(cyclopropylmethyl) O3-heptyl 2,6-dimethyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylic acid O5-(cyclopropylmethyl) ester O3-heptyl ester IUPAC Name: 5-O-(cyclopropylmethyl) 3-O-heptyl 2,6-dimethyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-1-(3-nitrophenyl)-2,4-dihydropyrimidine-3,5-dicarboxylic acid O5-(cyclopropylmethyl) ester O3-heptyl ester Formula: C25H35N3O6 MolecularWeight: 473.5619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)N1CC(=C(N(C1C)C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OCC3CC3

Isomeric SMILES

CCCCCCCOC(=O)N1CC(=C(N(C1C)C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OCC3CC3

InChI

InChI=1S/C25H35N3O6/c1-4-5-6-7-8-14-33-25(30)26-16-23(24(29)34-17-20-12-13-20)18(2)27(19(26)3)21-10-9-11-22(15-21)28(31)32/h9-11,15,19-20H,4-8,12-14,16-17H2,1-3H3