(4-nitrophenyl)methyl 7-acetamido-3-(bromomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 7-acetamido-3-(bromomethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-acetamido-3-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-acetamido-3-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-acetamido-3-(bromomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-acetamido-3-(bromomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H16BrN3O6S MolecularWeight: 470.29444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)CBr)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)CBr)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O6S/c1-9(22)19-13-15(23)20-14(11(6-18)8-28-16(13)20)17(24)27-7-10-2-4-12(5-3-10)21(25)26/h2-5,13,16H,6-8H2,1H3,(H,19,22)