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

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

CC([N+](=O)[O-])S(=O)C1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC([N+](=O)[O-])S(=O)C1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O6S/c1-10(18(21)22)25(23)13-7-12-8-14(19)17(12)15(13)16(20)24-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3