N-[3-(4-iodanylphenoxy)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(4-iodanylphenoxy)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-iodophenoxy)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-(4-iodophenoxy)-5-nitrophenyl]-5-methyl-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-iodophenoxy)-5-nitrophenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-(4-iodophenoxy)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Formula: C29H21IN4O4 MolecularWeight: 616.40591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)I)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)I)[N+](=O)[O-]

InChI

InChI=1S/C29H21IN4O4/c1-19-27(28(20-8-4-2-5-9-20)32-33(19)23-10-6-3-7-11-23)29(35)31-22-16-24(34(36)37)18-26(17-22)38-25-14-12-21(30)13-15-25/h2-18H,1H3,(H,31,35)