ethyl 3-[(4-azanyl-5-iodanyl-2-oxidanyl-phenyl)carbonylamino]propanoate

Systemtic Name: ethyl 3-[(4-azanyl-5-iodanyl-2-oxidanyl-phenyl)carbonylamino]propanoate Openeye Name: ethyl 3-[(4-amino-2-hydroxy-5-iodanyl-benzoyl)amino]propanoate CAS Name: 3-[[(4-amino-2-hydroxy-5-iodanylphenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-amino-2-hydroxy-5-iodanylbenzoyl)amino]propanoate Traditional Name: 3-[(4-amino-2-hydroxy-5-iodanyl-benzoyl)amino]propionic acid ethyl ester Formula: C12H15IN2O4 MolecularWeight: 376.163124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC(=C(C=C1O)N)I

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC(=C(C=C1O)N)[125I]

InChI

InChI=1S/C12H15IN2O4/c1-2-19-11(17)3-4-15-12(18)7-5-8(13)9(14)6-10(7)16/h5-6,16H,2-4,14H2,1H3,(H,15,18)/i13-2