(phenylmethyl) 3-(2-nitroethylsulfinyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(2-nitroethylsulfinyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-(2-nitroethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-nitroethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-nitroethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(2-nitroethylsulfinyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1S(=O)CC[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2CC(=O)N2C(=C1S(=O)CC[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O6S/c19-14-9-12-8-13(25(23)7-6-17(21)22)15(18(12)14)16(20)24-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2