5-[[3-azanyl-2,4-bis(iodanyl)phenyl]-methyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-azanyl-2,4-bis(iodanyl)phenyl]-methyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-amino-2,4-diiodo-N-methyl-anilino)-5-oxo-pentanoic acid CAS Name: 5-(3-amino-2,4-diiodo-N-methylanilino)-5-oxopentanoic acid IUPAC Name: 5-(3-amino-2,4-diiodo-N-methylanilino)-5-oxopentanoic acid Traditional Name: 5-(3-amino-2,4-diiodo-N-methyl-anilino)-5-keto-valeric acid Formula: C12H14I2N2O3 MolecularWeight: 488.0601

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=C(C=C1)I)N)I)C(=O)CCCC(=O)O

Isomeric SMILES

CN(C1=C(C(=C(C=C1)I)N)I)C(=O)CCCC(=O)O

InChI

InChI=1S/C12H14I2N2O3/c1-16(9(17)3-2-4-10(18)19)8-6-5-7(13)12(15)11(8)14/h5-6H,2-4,15H2,1H3,(H,18,19)