(4-nitrophenyl)methyl (6R,7S)-3-(2-bromanylethanoyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6R,7S)-3-(2-bromanylethanoyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6R,7S)-3-(2-bromoacetyl)-7-(tert-butoxycarbonylamino)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(2-bromo-1-oxoethyl)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6R,7S)-3-(2-bromoacetyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(2-bromoacetyl)-7-(tert-butoxycarbonylamino)-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H24BrN3O8 MolecularWeight: 538.34526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2CCC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)CBr

InChI

InChI=1S/C22H24BrN3O8/c1-22(2,3)34-21(30)24-17-15-9-8-14(16(27)10-23)18(25(15)19(17)28)20(29)33-11-12-4-6-13(7-5-12)26(31)32/h4-7,15,17H,8-11H2,1-3H3,(H,24,30)/t15-,17+/m1/s1