[2-(butylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C13H17IN2O3 MolecularWeight: 376.19015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)I)N

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)I)N

InChI

InChI=1S/C13H17IN2O3/c1-2-3-6-16-12(17)8-19-13(18)10-7-9(14)4-5-11(10)15/h4-5,7H,2-3,6,8,15H2,1H3,(H,16,17)