(4-nitrophenyl)methyl (5R,6S)-6-bromanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (5R,6S)-6-bromanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5R,6S)-6-bromo-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-6-bromo-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5R,6S)-6-bromo-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-6-bromo-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C13H9BrN2O5S MolecularWeight: 385.18996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CSC3N2C(=O)C3Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CS[C@H]3N2C(=O)[C@@H]3Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O5S/c14-10-11(17)15-9(6-22-12(10)15)13(18)21-5-7-1-3-8(4-2-7)16(19)20/h1-4,6,10,12H,5H2/t10-,12+/m0/s1