N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodanyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodo-2-methyl-pyrazole-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-4-iodo-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-4-iodo-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-4-iodo-2-methyl-pyrazole-3-carboxamide Formula: C18H14ClIN4O4 MolecularWeight: 512.68563

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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=NN3C)I)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)I)Cl

InChI

InChI=1S/C18H14ClIN4O4/c1-10-5-13(3-4-15(10)19)28-14-7-11(6-12(8-14)24(26)27)22-18(25)17-16(20)9-21-23(17)2/h3-9H,1-2H3,(H,22,25)