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

Systemtic Name: 4-[[5-azanyl-2,4-bis(iodanyl)phenyl]-ethyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-amino-N-ethyl-2,4-diiodo-anilino)-4-oxo-butanoic acid CAS Name: 4-(5-amino-N-ethyl-2,4-diiodoanilino)-4-oxobutanoic acid IUPAC Name: 4-(5-amino-N-ethyl-2,4-diiodoanilino)-4-oxobutanoic acid Traditional Name: 4-(5-amino-N-ethyl-2,4-diiodo-anilino)-4-keto-butyric acid Formula: C12H14I2N2O3 MolecularWeight: 488.0601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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