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

Systemtic Name: N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H16ClN5O4 MolecularWeight: 437.83584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H16ClN5O4/c1-12-7-13(2)26-20(24-12)19(11-23-26)21(28)25-15-8-16(27(29)30)10-18(9-15)31-17-5-3-14(22)4-6-17/h3-11H,1-2H3,(H,25,28)