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

Systemtic Name: N-[3-(4-iodanylphenoxy)-5-nitro-phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-iodophenoxy)-5-nitro-phenyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-(4-iodophenoxy)-5-nitrophenyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-iodophenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-(4-iodophenoxy)-5-nitro-phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C28H19IN4O4 MolecularWeight: 602.37933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)I)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)I)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H19IN4O4/c29-20-11-13-24(14-12-20)37-25-16-21(15-23(17-25)33(35)36)30-28(34)26-18-32(22-9-5-2-6-10-22)31-27(26)19-7-3-1-4-8-19/h1-18H,(H,30,34)