(phenylmethyl) 6-ethyl-3-(nitromethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-ethyl-3-(nitromethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-ethyl-3-(nitromethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-3-(nitromethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-ethyl-3-(nitromethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(nitromethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)C[N+](=O)[O-]

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)C[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5/c1-2-13-14-8-12(9-18(22)23)15(19(14)16(13)20)17(21)24-10-11-6-4-3-5-7-11/h3-7,13-14H,2,8-10H2,1H3