(4-nitrophenyl)methyl 7-azido-3-methyl-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 7-azido-3-methyl-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-azido-3-methyl-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 7-azido-3-methyl-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-azido-3-methyl-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-azido-8-keto-3-methyl-3-methylsulfonyloxy-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H17N5O8S2 MolecularWeight: 471.46488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])OS(=O)(=O)C

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])OS(=O)(=O)C

InChI

InChI=1S/C16H17N5O8S2/c1-16(29-31(2,26)27)8-30-14-11(18-19-17)13(22)20(14)12(16)15(23)28-7-9-3-5-10(6-4-9)21(24)25/h3-6,11-12,14H,7-8H2,1-2H3