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

Systemtic Name: 5-[[5-azanyl-2,4-bis(iodanyl)phenyl]-ethyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-amino-N-ethyl-2,4-diiodo-anilino)-5-oxo-pentanoic acid CAS Name: 5-(5-amino-N-ethyl-2,4-diiodoanilino)-5-oxopentanoic acid IUPAC Name: 5-(5-amino-N-ethyl-2,4-diiodoanilino)-5-oxopentanoic acid Traditional Name: 5-(5-amino-N-ethyl-2,4-diiodo-anilino)-5-keto-valeric acid Formula: C13H16I2N2O3 MolecularWeight: 502.08668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16I2N2O3/c1-2-17(12(18)4-3-5-13(19)20)11-7-10(16)8(14)6-9(11)15/h6-7H,2-5,16H2,1H3,(H,19,20)