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5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name:5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Openeye Name:5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS Name:5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
IUPAC Name:5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Traditional Name:5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula: C13H11N7O3
MolecularWeight: 313.27154
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=O)N3C(=N2)C(=CN3)C#N)C)[N+](=O)[O-]


Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=O)N3C(=N2)C(=CN3)C#N)C)[N+](=O)[O-]


InChI

InChI=1S/C13H11N7O3/c1-7-12(20(22)23)8(2)18(17-7)6-10-3-11(21)19-13(16-10)9(4-14)5-15-19/h3,5,15H,6H2,1-2H3


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