tert-butyl 2-nitro-6-[(4-phenylmethoxyphenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate

Systemtic Name: tert-butyl 2-nitro-6-[(4-phenylmethoxyphenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate Openeye Name: tert-butyl 6-[(4-benzyloxyphenyl)methoxy]-2-nitro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate CAS Name: 2-nitro-6-[(4-phenylmethoxyphenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-nitro-6-[(4-phenylmethoxyphenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylate Traditional Name: 6-(4-benzoxybenzyl)oxy-2-nitro-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxylic acid tert-butyl ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CN2C1=CC(=N2)[N+](=O)[O-])OCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CN2C1=CC(=N2)[N+](=O)[O-])OCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O6/c1-25(2,3)35-24(30)27-14-21(15-28-23(27)13-22(26-28)29(31)32)34-17-19-9-11-20(12-10-19)33-16-18-7-5-4-6-8-18/h4-13,21H,14-17H2,1-3H3