(phenylmethyl) 3-chloranyl-3-(1-nitroethylsulfinyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-chloranyl-3-(1-nitroethylsulfinyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-chloro-3-(1-nitroethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-chloro-3-(1-nitroethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-chloro-3-(1-nitroethylsulfinyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 3-chloro-7-keto-3-(1-nitroethylsulfinyl)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C16H17ClN2O6S MolecularWeight: 400.83398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC([N+](=O)[O-])S(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC([N+](=O)[O-])S(=O)C1(CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-10(19(22)23)26(24)16(17)8-12-7-13(20)18(12)14(16)15(21)25-9-11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3