2-(iodanylamino)ethyl ethanoate; (E)-3-phenylprop-2-enal

Systemtic Name: 2-(iodanylamino)ethyl ethanoate; (E)-3-phenylprop-2-enal Openeye Name: 2-(iodoamino)ethyl acetate; (E)-3-phenylprop-2-enal CAS Name: acetic acid 2-(iodoamino)ethyl ester; (E)-3-phenyl-2-propenal IUPAC Name: 2-(iodoamino)ethyl acetate; (E)-3-phenylprop-2-enal Traditional Name: acetic acid 2-(iodoamino)ethyl ester; (E)-3-phenylacrolein Formula: C13H16INO3 MolecularWeight: 361.17551

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNI.C1=CC=C(C=C1)C=CC=O

Isomeric SMILES

CC(=O)OCCNI.C1=CC=C(C=C1)/C=C/C=O

InChI

InChI=1S/C9H8O.C4H8INO2/c10-8-4-7-9-5-2-1-3-6-9;1-4(7)8-3-2-6-5/h1-8H;6H,2-3H2,1H3/b7-4+;