3-(1H-imidazol-5-yl)propyl 4-azanyl-3,5-bis(iodanyl)benzoate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl 4-azanyl-3,5-bis(iodanyl)benzoate Openeye Name: 3-(1H-imidazol-5-yl)propyl 4-amino-3,5-diiodo-benzoate CAS Name: 4-amino-3,5-diiodobenzoic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl 4-amino-3,5-diiodobenzoate Traditional Name: 4-amino-3,5-diiodo-benzoic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C13H13I2N3O2 MolecularWeight: 497.07016

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)N)I)C(=O)OCCCC2=CN=CN2

Isomeric SMILES

C1=C(C=C(C(=C1I)N)I)C(=O)OCCCC2=CN=CN2

InChI

InChI=1S/C13H13I2N3O2/c14-10-4-8(5-11(15)12(10)16)13(19)20-3-1-2-9-6-17-7-18-9/h4-7H,1-3,16H2,(H,17,18)