3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Formula: C26H22N4O6 MolecularWeight: 486.47608

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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=CC(=NN3)C4=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O6/c1-14-6-15(2)16(3)24(7-14)36-20-10-18(9-19(11-20)30(32)33)27-26(31)22-12-21(28-29-22)17-4-5-23-25(8-17)35-13-34-23/h4-12H,13H2,1-3H3,(H,27,31)(H,28,29)