N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N4O5/c1-17-10-18(2)12-22(11-17)34-23-14-19(13-20(15-23)29(31)32)26-25(30)24-8-9-28(27-24)16-33-21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,26,30)