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

Systemtic Name: 3-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C21H16BrN5O4 MolecularWeight: 482.28684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C=CC=NC4=C3Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C=CC=NC4=C3Br)C

InChI

InChI=1S/C21H16BrN5O4/c1-12-6-13(2)8-16(7-12)31-17-10-14(9-15(11-17)27(29)30)24-21(28)19-18(22)20-23-4-3-5-26(20)25-19/h3-11H,1-2H3,(H,24,28)