4-[(2S,3S)-3-acetyloxy-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-azetidin-1-yl]benzoic acid

Systemtic Name: 4-[(2S,3S)-3-acetyloxy-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-azetidin-1-yl]benzoic acid Openeye Name: 4-[(2S,3S)-3-acetoxy-2-(1,3-benzodioxol-5-yl)-4-oxo-azetidin-1-yl]benzoic acid CAS Name: 4-[(2S,3S)-3-acetyloxy-2-(1,3-benzodioxol-5-yl)-4-oxo-1-azetidinyl]benzoic acid IUPAC Name: 4-[(2S,3S)-3-acetyloxy-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]benzoic acid Traditional Name: 4-[(2S,3S)-3-acetoxy-2-(1,3-benzodioxol-5-yl)-4-keto-azetidin-1-yl]benzoic acid Formula: C19H15NO7 MolecularWeight: 369.3249

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](N(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15NO7/c1-10(21)27-17-16(12-4-7-14-15(8-12)26-9-25-14)20(18(17)22)13-5-2-11(3-6-13)19(23)24/h2-8,16-17H,9H2,1H3,(H,23,24)/t16-,17-/m0/s1