3-azanyl-5-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-azanyl-5-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-amino-5-[(2-amino-2-oxo-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-[(2-amino-2-oxoethyl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-[(2-amino-2-keto-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C10H8I3N3O4 MolecularWeight: 614.90163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)N)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I

Isomeric SMILES

C(C(=O)N)NC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I

InChI

InChI=1S/C10H8I3N3O4/c11-5-3(9(18)16-1-2(14)17)6(12)8(15)7(13)4(5)10(19)20/h1,15H2,(H2,14,17)(H,16,18)(H,19,20)