N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1-[(3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C22H19ClN6O4 MolecularWeight: 466.87706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CN2C=CC(=N2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CN2C=CC(=N2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H19ClN6O4/c1-14-9-15(2)28(25-14)13-27-8-7-21(26-27)22(30)24-17-10-18(29(31)32)12-20(11-17)33-19-5-3-16(23)4-6-19/h3-12H,13H2,1-2H3,(H,24,30)