ethyl 3-nitro-6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: ethyl 3-nitro-6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: ethyl 3-nitro-6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 3-nitro-6-(4-nitro-1-pyrazolyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-nitro-6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 3-nitro-6-(4-nitropyrazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid ethyl ester Formula: C12H9N7O6 MolecularWeight: 347.24316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2C=C(C=NC2=C1[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN2C=C(C=NC2=C1[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N7O6/c1-2-25-12(20)9-10(19(23)24)11-13-3-7(5-17(11)15-9)16-6-8(4-14-16)18(21)22/h3-6H,2H2,1H3