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

Systemtic Name: 3-azanyl-5-[azanyl(ethyl)carbamoyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-amino-5-[amino(ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[[amino(ethyl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-[amino(ethyl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-[amino(ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C10H10I3N3O3 MolecularWeight: 600.91811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10I3N3O3/c1-2-16(15)9(17)3-5(11)4(10(18)19)7(13)8(14)6(3)12/h2,14-15H2,1H3,(H,18,19)