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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-iodanylphenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-iodophenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(3-iodophenyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-iodophenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-iodophenyl)benzamide Formula: C19H17IN4O3 MolecularWeight: 476.26775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)I)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)I)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17IN4O3/c1-12-18(24(26)27)13(2)23(22-12)11-14-6-8-15(9-7-14)19(25)21-17-5-3-4-16(20)10-17/h3-10H,11H2,1-2H3,(H,21,25)