4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-iodanyl-4-methyl-phenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-iodanyl-4-methyl-phenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-iodo-4-methyl-phenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(3-iodo-4-methylphenyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-iodo-4-methylphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-iodo-4-methyl-phenyl)benzamide Formula: C20H19IN4O3 MolecularWeight: 490.29433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)I

InChI

InChI=1S/C20H19IN4O3/c1-12-4-9-17(10-18(12)21)22-20(26)16-7-5-15(6-8-16)11-24-14(3)19(25(27)28)13(2)23-24/h4-10H,11H2,1-3H3,(H,22,26)