4-[(4-chloranylpyrazol-1-yl)methyl]-5-methyl-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-5-methyl-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-1,2-oxazole-3-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-[3-(4-methylphenoxy)-5-nitro-phenyl]isoxazole-3-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-5-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-3-isoxazolecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1,2-oxazole-3-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-[3-(4-methylphenoxy)-5-nitro-phenyl]isoxazole-3-carboxamide Formula: C22H18ClN5O5 MolecularWeight: 467.86182

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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=NOC(=C3CN4C=C(C=N4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NOC(=C3CN4C=C(C=N4)Cl)C

InChI

InChI=1S/C22H18ClN5O5/c1-13-3-5-18(6-4-13)32-19-8-16(7-17(9-19)28(30)31)25-22(29)21-20(14(2)33-26-21)12-27-11-15(23)10-24-27/h3-11H,12H2,1-2H3,(H,25,29)