ethyl 2-(2-azidoethyl)-6-iodanyl-2-[(E)-(2-phenylaziridin-1-yl)iminomethyl]hexanoate

Systemtic Name: ethyl 2-(2-azidoethyl)-6-iodanyl-2-[(E)-(2-phenylaziridin-1-yl)iminomethyl]hexanoate Openeye Name: ethyl 2-(2-azidoethyl)-6-iodo-2-[(E)-(2-phenylaziridin-1-yl)iminomethyl]hexanoate CAS Name: 2-(2-azidoethyl)-6-iodo-2-[(E)-(2-phenyl-1-aziridinyl)iminomethyl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(2-azidoethyl)-6-iodo-2-[(E)-(2-phenylaziridin-1-yl)iminomethyl]hexanoate Traditional Name: 2-(2-azidoethyl)-6-iodo-2-[(E)-(2-phenylethylenimin-1-yl)iminomethyl]hexanoic acid ethyl ester Formula: C19H26IN5O2 MolecularWeight: 483.34651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCI)(CCN=[N+]=[N-])C=NN1CC1C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCCI)(CCN=[N+]=[N-])/C=N/N1CC1C2=CC=CC=C2

InChI

InChI=1S/C19H26IN5O2/c1-2-27-18(26)19(10-6-7-12-20,11-13-22-24-21)15-23-25-14-17(25)16-8-4-3-5-9-16/h3-5,8-9,15,17H,2,6-7,10-14H2,1H3/b23-15+