2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodo-4-methyl-phenyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(3-iodo-4-methylphenyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-iodo-4-methylphenyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-iodo-4-methyl-phenyl)acetamide Formula: C14H15IN4O3 MolecularWeight: 414.19837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)I

InChI

InChI=1S/C14H15IN4O3/c1-8-4-5-11(6-12(8)15)16-13(20)7-18-10(3)14(19(21)22)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,20)