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

Systemtic Name: N-(4-iodanyl-2,5-dimethyl-phenyl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4-iodo-2,5-dimethyl-phenyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(4-iodo-2,5-dimethylphenyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4-iodo-2,5-dimethylphenyl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4-iodo-2,5-dimethyl-phenyl)-3-nitro-4-piperidino-benzamide Formula: C20H22IN3O3 MolecularWeight: 479.31145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1I)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1I)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22IN3O3/c1-13-11-17(14(2)10-16(13)21)22-20(25)15-6-7-18(19(12-15)24(26)27)23-8-4-3-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,25)