ethyl 2-[1-(2-acetyloxyethyl)-4-bromanyl-pyrrol-2-yl]-2-oxidanyl-ethanoate

Systemtic Name: ethyl 2-[1-(2-acetyloxyethyl)-4-bromanyl-pyrrol-2-yl]-2-oxidanyl-ethanoate Openeye Name: ethyl 2-[1-(2-acetoxyethyl)-4-bromo-pyrrol-2-yl]-2-hydroxy-acetate CAS Name: 2-[1-(2-acetyloxyethyl)-4-bromo-2-pyrrolyl]-2-hydroxyacetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-acetyloxyethyl)-4-bromopyrrol-2-yl]-2-hydroxyacetate Traditional Name: 2-[1-(2-acetoxyethyl)-4-bromo-pyrrol-2-yl]-2-hydroxy-acetic acid ethyl ester Formula: C12H16BrNO5 MolecularWeight: 334.16314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=CN1CCOC(=O)C)Br)O

Isomeric SMILES

CCOC(=O)C(C1=CC(=CN1CCOC(=O)C)Br)O

InChI

InChI=1S/C12H16BrNO5/c1-3-18-12(17)11(16)10-6-9(13)7-14(10)4-5-19-8(2)15/h6-7,11,16H,3-5H2,1-2H3