2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodophenyl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodophenyl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodophenyl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-iodophenyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-iodophenyl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-iodophenyl)ethanone Formula: C13H12IN3O3 MolecularWeight: 385.15715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12IN3O3/c1-8-13(17(19)20)9(2)16(15-8)7-12(18)10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3