2-[1-(2-acetyloxyethyl)-4-chloranyl-3-ethyl-pyrrol-2-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-(2-acetyloxyethyl)-4-chloranyl-3-ethyl-pyrrol-2-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-(2-acetoxyethyl)-4-chloro-3-ethyl-pyrrol-2-yl]-2-oxo-acetic acid CAS Name: 2-[1-(2-acetyloxyethyl)-4-chloro-3-ethyl-2-pyrrolyl]-2-oxoacetic acid IUPAC Name: 2-[1-(2-acetyloxyethyl)-4-chloro-3-ethylpyrrol-2-yl]-2-oxoacetic acid Traditional Name: 2-[1-(2-acetoxyethyl)-4-chloro-3-ethyl-pyrrol-2-yl]-2-keto-acetic acid Formula: C12H14ClNO5 MolecularWeight: 287.69626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C=C1Cl)CCOC(=O)C)C(=O)C(=O)O

Isomeric SMILES

CCC1=C(N(C=C1Cl)CCOC(=O)C)C(=O)C(=O)O

InChI

InChI=1S/C12H14ClNO5/c1-3-8-9(13)6-14(4-5-19-7(2)15)10(8)11(16)12(17)18/h6H,3-5H2,1-2H3,(H,17,18)