3-cyano-5-(4-nitrophenyl)-2-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-cyano-5-(4-nitrophenyl)-2-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 3-cyano-5-(4-nitrophenyl)-2-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-cyano-5-(4-nitrophenyl)-2-(1-pyrrolidinyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 3-cyano-5-(4-nitrophenyl)-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 3-cyano-5-(4-nitrophenyl)-2-pyrrolidino-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C17H13N6O3- MolecularWeight: 349.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN3C(=CC(=NC3=C2C#N)C4=CC=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCN(C1)C2=NN3C(=CC(=NC3=C2C#N)C4=CC=C(C=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N6O3/c18-10-13-16-19-14(11-3-5-12(6-4-11)23(25)26)9-15(24)22(16)20-17(13)21-7-1-2-8-21/h3-6,9,24H,1-2,7-8H2/p-1