3-(2-azanylethanoylamino)-5-(hydroxymethyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(2-azanylethanoylamino)-5-(hydroxymethyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(2-aminoacetyl)amino]-5-(hydroxymethyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-[(2-amino-1-oxoethyl)amino]-5-(hydroxymethyl)-2,4,6-triiodobenzoic acid IUPAC Name: 3-[(2-aminoacetyl)amino]-5-(hydroxymethyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-(glycylamino)-2,4,6-triiodo-5-methylol-benzoic acid Formula: C10H9I3N2O4 MolecularWeight: 601.90287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9I3N2O4/c11-6-3(2-16)7(12)9(15-4(17)1-14)8(13)5(6)10(18)19/h16H,1-2,14H2,(H,15,17)(H,18,19)