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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C=CC(=C2)I)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C=CC(=C2)I)N

InChI

InChI=1S/C16H21IN2O3/c17-12-6-7-14(18)13(10-12)16(21)22-11-15(20)19-8-4-2-1-3-5-9-19/h6-7,10H,1-5,8-9,11,18H2