N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H17N5O4 MolecularWeight: 403.39078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C4N=CC=CN4N=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C4N=CC=CN4N=C3)C

InChI

InChI=1S/C21H17N5O4/c1-13-6-14(2)8-17(7-13)30-18-10-15(9-16(11-18)26(28)29)24-21(27)19-12-23-25-5-3-4-22-20(19)25/h3-12H,1-2H3,(H,24,27)