N-[2-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]pentylamino]-2-oxidanylidene-ethyl]-3-iodanyl-benzamide

Systemtic Name: N-[2-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]pentylamino]-2-oxidanylidene-ethyl]-3-iodanyl-benzamide Openeye Name: N-[2-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-2-oxo-ethyl]-3-iodanyl-benzamide CAS Name: N-[2-[5-(2,5-dioxo-1-pyrrolyl)pentylamino]-2-oxoethyl]-3-iodanylbenzamide IUPAC Name: N-[2-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-2-oxoethyl]-3-iodanylbenzamide Traditional Name: 3-iodanyl-N-[2-keto-2-(5-maleimidopentylamino)ethyl]benzamide Formula: C18H20IN3O4 MolecularWeight: 467.273724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)NCC(=O)NCCCCCN2C(=O)C=CC2=O

Isomeric SMILES

C1=CC(=CC(=C1)[125I])C(=O)NCC(=O)NCCCCCN2C(=O)C=CC2=O

InChI

InChI=1S/C18H20IN3O4/c19-14-6-4-5-13(11-14)18(26)21-12-15(23)20-9-2-1-3-10-22-16(24)7-8-17(22)25/h4-8,11H,1-3,9-10,12H2,(H,20,23)(H,21,26)/i19-2