[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H19IN2O3 MolecularWeight: 402.22743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)I)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)I)N

InChI

InChI=1S/C15H19IN2O3/c16-11-5-6-13(17)12(9-11)15(20)21-10-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10,17H2