N-(4-iodanyl-2,5-dimethyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-iodanyl-2,5-dimethyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(4-iodo-2,5-dimethyl-phenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(4-iodo-2,5-dimethylphenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(4-iodo-2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-iodo-2,5-dimethyl-phenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H24IN3O3 MolecularWeight: 493.33803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C(=C3)C)I)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=C(C(=C3)C)I)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24IN3O3/c1-13-6-8-24(9-7-13)19-5-4-16(12-20(19)25(27)28)21(26)23-18-11-14(2)17(22)10-15(18)3/h4-5,10-13H,6-9H2,1-3H3,(H,23,26)