O3-tert-butyl O5-ethyl 4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O3-tert-butyl O5-ethyl 4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-ethyl 4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-2-(1-pyrazolyl)-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester IUPAC Name: 3-O-tert-butyl 5-O-ethyl 4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 4-(3,3-dimethoxypropyl)-6-(4-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester Formula: C26H33N5O8 MolecularWeight: 543.56892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1CCC(OC)OC)C(=O)OC(C)(C)C)N2C=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1CCC(OC)OC)C(=O)OC(C)(C)C)N2C=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O8/c1-7-38-23(32)21-19(13-14-20(36-5)37-6)30(25(33)39-26(2,3)4)24(29-16-8-15-27-29)28-22(21)17-9-11-18(12-10-17)31(34)35/h8-12,15-16,19-20H,7,13-14H2,1-6H3