3-(2-azanylethanoylamino)-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(2-azanylethanoylamino)-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[acetyl(methyl)amino]-5-[(2-aminoacetyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[acetyl(methyl)amino]-5-[(2-amino-1-oxoethyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[acetyl(methyl)amino]-5-[(2-aminoacetyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[acetyl(methyl)amino]-5-(glycylamino)-2,4,6-triiodo-benzoic acid Formula: C12H12I3N3O4 MolecularWeight: 642.95479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12I3N3O4/c1-4(19)18(2)11-8(14)6(12(21)22)7(13)10(9(11)15)17-5(20)3-16/h3,16H2,1-2H3,(H,17,20)(H,21,22)