2-azanyl-2-(4-iodophenyl)carbonyl-pentanedioic acid

Systemtic Name: 2-azanyl-2-(4-iodophenyl)carbonyl-pentanedioic acid Openeye Name: 2-amino-2-(4-iodobenzoyl)pentanedioic acid CAS Name: 2-amino-2-[(4-iodophenyl)-oxomethyl]pentanedioic acid IUPAC Name: 2-amino-2-(4-iodobenzoyl)pentanedioic acid Traditional Name: 2-amino-2-(4-iodobenzoyl)glutaric acid Formula: C12H12INO5 MolecularWeight: 377.13185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CCC(=O)O)(C(=O)O)N)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CCC(=O)O)(C(=O)O)N)I

InChI

InChI=1S/C12H12INO5/c13-8-3-1-7(2-4-8)10(17)12(14,11(18)19)6-5-9(15)16/h1-4H,5-6,14H2,(H,15,16)(H,18,19)