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

Systemtic Name: ethyl 3-[(4-azido-5-iodanyl-2-oxidanyl-phenyl)carbonylamino]propanoate Openeye Name: ethyl 3-[(4-azido-2-hydroxy-5-iodanyl-benzoyl)amino]propanoate CAS Name: 3-[[(4-azido-2-hydroxy-5-iodanylphenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-azido-2-hydroxy-5-iodanylbenzoyl)amino]propanoate Traditional Name: 3-[(4-azido-2-hydroxy-5-iodanyl-benzoyl)amino]propionic acid ethyl ester Formula: C12H13IN4O4 MolecularWeight: 402.160644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13IN4O4/c1-2-21-11(19)3-4-15-12(20)7-5-8(13)9(16-17-14)6-10(7)18/h5-6,18H,2-4H2,1H3,(H,15,20)/i13-2