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

Systemtic Name: (2S)-1-(2-bromoethyl)-3-ethanoyl-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(2-bromoethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(2-bromoethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(2-bromoethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(2-bromoethyl)-2-keto-5-(4-nitrophenyl)-3-pyrrolin-3-olate Formula: C14H12BrN2O5- MolecularWeight: 368.15948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O5/c1-8(18)11-12(16(7-6-15)14(20)13(11)19)9-2-4-10(5-3-9)17(21)22/h2-5,12,19H,6-7H2,1H3/p-1/t12-/m0/s1