(phenylmethyl) (1S,6S)-8-bromanyl-4-oxidanylidene-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate

Systemtic Name: (phenylmethyl) (1S,6S)-8-bromanyl-4-oxidanylidene-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate Openeye Name: benzyl (1S,6S)-8-bromo-4-oxo-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate CAS Name: (1S,6S)-8-bromo-4-oxo-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,6S)-8-bromo-4-oxo-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate Traditional Name: (1S,6S)-8-bromo-4-keto-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylic acid benzyl ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C=C2Br)NC(=O)N1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@H]2[C@H](C=C2Br)NC(=O)N1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C14H13BrN2O3/c15-11-6-12-10(11)7-17(13(18)16-12)14(19)20-8-9-4-2-1-3-5-9/h1-6,10,12H,7-8H2,(H,16,18)/t10-,12+/m1/s1