N-[3-(diethylamino)propyl]-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzamide

Systemtic Name: N-[3-(diethylamino)propyl]-2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzamide Openeye Name: N-[3-(diethylamino)propyl]-2-(4-iodo-2-methyl-anilino)-5-nitro-benzamide CAS Name: N-[3-(diethylamino)propyl]-2-(4-iodo-2-methylanilino)-5-nitrobenzamide IUPAC Name: N-[3-(diethylamino)propyl]-2-(4-iodo-2-methylanilino)-5-nitrobenzamide Traditional Name: N-[3-(diethylamino)propyl]-2-(4-iodo-2-methyl-anilino)-5-nitro-benzamide Formula: C21H27IN4O3 MolecularWeight: 510.36855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)I)C

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)I)C

InChI

InChI=1S/C21H27IN4O3/c1-4-25(5-2)12-6-11-23-21(27)18-14-17(26(28)29)8-10-20(18)24-19-9-7-16(22)13-15(19)3/h7-10,13-14,24H,4-6,11-12H2,1-3H3,(H,23,27)