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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C15H21IN2O3 MolecularWeight: 404.24331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21IN2O3/c1-2-3-4-5-8-18-14(19)10-21-15(20)12-9-11(16)6-7-13(12)17/h6-7,9H,2-5,8,10,17H2,1H3,(H,18,19)