[[3-aminocarbonyl-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]-ethanoyl-amino] ethanoate

Systemtic Name: [[3-aminocarbonyl-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]-ethanoyl-amino] ethanoate Openeye Name: [N-acetyl-3-carbamoyl-2,4,6-triiodo-5-(methylcarbamoyl)anilino] acetate CAS Name: acetic acid [N-acetyl-3-carbamoyl-2,4,6-triiodo-5-(methylcarbamoyl)anilino] ester IUPAC Name: [N-acetyl-3-carbamoyl-2,4,6-triiodo-5-(methylcarbamoyl)anilino] acetate Traditional Name: acetic acid [N-acetyl-3-carbamoyl-2,4,6-triiodo-5-(methylcarbamoyl)anilino] ester Formula: C13H12I3N3O5 MolecularWeight: 670.96489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12I3N3O5/c1-4(20)19(24-5(2)21)11-9(15)6(12(17)22)8(14)7(10(11)16)13(23)18-3/h1-3H3,(H2,17,22)(H,18,23)