3-(4-methoxyphenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-(4-methoxyphenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-benzyl-3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(4-methoxyphenyl)-5-(4-nitrophenyl)-2-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-benzyl-3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-benzyl-3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C26H19N4O4- MolecularWeight: 451.45346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2CC4=CC=CC=C4)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2CC4=CC=CC=C4)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O4/c1-34-21-13-9-19(10-14-21)25-23(15-17-5-3-2-4-6-17)28-29-24(31)16-22(27-26(25)29)18-7-11-20(12-8-18)30(32)33/h2-14,16,31H,15H2,1H3/p-1