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

Systemtic Name: 2-(4-iodophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-(4-iodophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 2-(4-iodophenyl)-5-(4-nitrophenyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-(4-iodophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-(4-iodophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C18H10IN4O3- MolecularWeight: 457.20147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=CC(=NN3C(=C2)[O-])C4=CC=C(C=C4)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=CC(=NN3C(=C2)[O-])C4=CC=C(C=C4)I)[N+](=O)[O-]

InChI

InChI=1S/C18H11IN4O3/c19-13-5-1-12(2-6-13)16-9-17-20-15(10-18(24)22(17)21-16)11-3-7-14(8-4-11)23(25)26/h1-10,24H/p-1