N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodo-1H-pyrazole-5-carboxamide Formula: C17H12ClIN4O4 MolecularWeight: 498.65905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClIN4O4/c1-9-4-12(2-3-14(9)18)27-13-6-10(5-11(7-13)23(25)26)21-17(24)16-15(19)8-20-22-16/h2-8H,1H3,(H,20,22)(H,21,24)