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

Systemtic Name: 4-iodanyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-iodo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-iodo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-iodo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-iodo-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Formula: C19H17IN4O4 MolecularWeight: 492.26715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17IN4O4/c1-10-4-11(2)12(3)17(5-10)28-15-7-13(6-14(8-15)24(26)27)22-19(25)18-16(20)9-21-23-18/h4-9H,1-3H3,(H,21,23)(H,22,25)