N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O4/c1-13-7-14(2)15(3)20(8-13)31-18-10-16(9-17(11-18)27(29)30)25-22(28)19-12-24-26-6-4-5-23-21(19)26/h4-12H,1-3H3,(H,25,28)