(4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxidanylidene-azetidin-1-yl]-2-acetyloxy-ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxidanylidene-azetidin-1-yl]-2-acetyloxy-ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxo-azetidin-1-yl]-2-acetoxy-acetate CAS Name: 2-[(3S)-3-acetamido-2-oxo-1-azetidinyl]-2-acetyloxyacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(3S)-3-acetamido-2-oxoazetidin-1-yl]-2-acetyloxyacetate Traditional Name: 2-[(3S)-3-acetamido-2-keto-azetidin-1-yl]-2-acetoxy-acetic acid (4-nitrobenzyl) ester Formula: C16H17N3O8 MolecularWeight: 379.32148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CN(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)N[C@H]1CN(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C16H17N3O8/c1-9(20)17-13-7-18(14(13)22)15(27-10(2)21)16(23)26-8-11-3-5-12(6-4-11)19(24)25/h3-6,13,15H,7-8H2,1-2H3,(H,17,20)/t13-,15?/m0/s1