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

Systemtic Name: O3-tert-butyl O5-ethyl 6-methyl-4-(3-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O3-tert-butyl O5-ethyl 6-methyl-4-(3-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(3-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 6-methyl-4-(3-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-(3-nitrophenyl)-2-pyrazol-1-yl-4H-pyrimidine-3,5-dicarboxylic acid O3-tert-butyl ester O5-ethyl ester Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)N3C=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)N3C=CC=N3)C

InChI

InChI=1S/C22H25N5O6/c1-6-32-19(28)17-14(2)24-20(25-12-8-11-23-25)26(21(29)33-22(3,4)5)18(17)15-9-7-10-16(13-15)27(30)31/h7-13,18H,6H2,1-5H3