3-(bromomethyl)-7-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(bromomethyl)-7-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(bromomethyl)-7-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(bromomethyl)-7-[2-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(bromomethyl)-7-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(bromomethyl)-8-keto-7-[2-(4-nitrobenzyl)oxycarbonyloxyethyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H14BrN2O8S2- MolecularWeight: 518.33566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)OCCC2C3N(C2=O)C(=C(SS3)CBr)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)OCCC2C3N(C2=O)C(=C(SS3)CBr)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O8S2/c18-7-12-13(16(22)23)19-14(21)11(15(19)30-29-12)5-6-27-17(24)28-8-9-1-3-10(4-2-9)20(25)26/h1-4,11,15H,5-8H2,(H,22,23)/p-1