N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C20H14ClN5O4 MolecularWeight: 423.80926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN5O4/c1-12-7-15(3-4-18(12)21)30-16-9-13(8-14(10-16)26(28)29)24-20(27)17-11-23-25-6-2-5-22-19(17)25/h2-11H,1H3,(H,24,27)