(2S)-1-(2-bromoethyl)-2-(2,4-dimethoxyphenyl)-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(2-bromoethyl)-2-(2,4-dimethoxyphenyl)-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(2-bromoethyl)-2-(2,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(2-bromoethyl)-2-(2,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(2-bromoethyl)-2-(2,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(2-bromoethyl)-5-(2,4-dimethoxyphenyl)-2-keto-3-pyrrolin-3-olate Formula: C16H17BrNO5- MolecularWeight: 383.21388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)OC)OC)CCBr)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=C(C=C(C=C2)OC)OC)CCBr)[O-]

InChI

InChI=1S/C16H18BrNO5/c1-9(19)13-14(18(7-6-17)16(21)15(13)20)11-5-4-10(22-2)8-12(11)23-3/h4-5,8,14,20H,6-7H2,1-3H3/p-1/t14-/m0/s1