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

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-iodanyl-2-methyl-phenyl)butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-iodo-2-methyl-phenyl)butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-iodo-2-methylphenyl)butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-iodo-2-methylphenyl)butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-iodo-2-methyl-phenyl)butyramide Formula: C16H19IN4O3 MolecularWeight: 442.25153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H19IN4O3/c1-10-9-13(17)6-7-14(10)18-15(22)5-4-8-20-12(3)16(21(23)24)11(2)19-20/h6-7,9H,4-5,8H2,1-3H3,(H,18,22)