3-azanyl-2,4,6-tris(iodanyl)-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 3-amino-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[[(1-hydroxy-2-methylpropan-2-yl)amino]-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]-2,4,6-triiodo-benzoic acid Formula: C12H13I3N2O4 MolecularWeight: 629.95603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13I3N2O4/c1-12(2,3-18)17-10(19)4-6(13)5(11(20)21)8(15)9(16)7(4)14/h18H,3,16H2,1-2H3,(H,17,19)(H,20,21)