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

Systemtic Name: (4-nitrophenyl)methyl 7-azido-3-methyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-azido-3-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 7-azido-3-hydroxy-3-methyl-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-hydroxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-azido-3-hydroxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H15N5O6S MolecularWeight: 393.3745

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O6S/c1-15(23)7-27-13-10(17-18-16)12(21)19(13)11(15)14(22)26-6-8-2-4-9(5-3-8)20(24)25/h2-5,10-11,13,23H,6-7H2,1H3