N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-iodanyl-5-nitro-benzamide

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-iodanyl-5-nitro-benzamide Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-iodo-5-nitro-benzamide CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-iodo-5-nitrobenzamide IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-iodo-5-nitrobenzamide Traditional Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-iodo-5-nitro-benzamide Formula: C12H11IN4O3 MolecularWeight: 386.14521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])I

InChI

InChI=1S/C12H11IN4O3/c1-6-11(7(2)16-15-6)14-12(18)9-5-8(17(19)20)3-4-10(9)13/h3-5H,1-2H3,(H,14,18)(H,15,16)