4-[(2S,3S)-3-acetyloxy-2-(4-bromophenyl)-4-oxidanylidene-azetidin-1-yl]benzoic acid

Systemtic Name: 4-[(2S,3S)-3-acetyloxy-2-(4-bromophenyl)-4-oxidanylidene-azetidin-1-yl]benzoic acid Openeye Name: 4-[(2S,3S)-3-acetoxy-2-(4-bromophenyl)-4-oxo-azetidin-1-yl]benzoic acid CAS Name: 4-[(2S,3S)-3-acetyloxy-2-(4-bromophenyl)-4-oxo-1-azetidinyl]benzoic acid IUPAC Name: 4-[(2S,3S)-3-acetyloxy-2-(4-bromophenyl)-4-oxoazetidin-1-yl]benzoic acid Traditional Name: 4-[(2S,3S)-3-acetoxy-2-(4-bromophenyl)-4-keto-azetidin-1-yl]benzoic acid Formula: C18H14BrNO5 MolecularWeight: 404.21146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO5/c1-10(21)25-16-15(11-2-6-13(19)7-3-11)20(17(16)22)14-8-4-12(5-9-14)18(23)24/h2-9,15-16H,1H3,(H,23,24)/t15-,16-/m0/s1