3-(1,3-benzodioxol-5-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NN3)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NN3)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H20N4O6/c1-14-5-15(2)7-19(6-14)35-20-10-17(9-18(11-20)29(31)32)26-25(30)22-12-21(27-28-22)16-3-4-23-24(8-16)34-13-33-23/h3-12H,13H2,1-2H3,(H,26,30)(H,27,28)