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

Systemtic Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(acetoxymethyl)-7-azido-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-azido-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-azido-3-hydroxy-8-keto-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H17N5O8S MolecularWeight: 451.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])O

Isomeric SMILES

CC(=O)OCC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])O

InChI

InChI=1S/C17H17N5O8S/c1-9(23)30-7-17(26)8-31-15-12(19-20-18)14(24)21(15)13(17)16(25)29-6-10-2-4-11(5-3-10)22(27)28/h2-5,12-13,15,26H,6-8H2,1H3