N-(2-cyano-4-nitro-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C16H12N6O3 MolecularWeight: 336.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C16H12N6O3/c1-9-5-10(2)21-15(19-9)13(8-18-21)16(23)20-14-4-3-12(22(24)25)6-11(14)7-17/h3-6,8H,1-2H3,(H,20,23)