2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodanylphenyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodophenyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(3-iodophenyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-iodophenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodophenyl)acetamide Formula: C13H13IN4O3 MolecularWeight: 400.17179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC(=CC=C2)I)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC(=CC=C2)I)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13IN4O3/c1-8-13(18(20)21)9(2)17(16-8)7-12(19)15-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,15,19)