[(4R,5R,6S)-5-bromanyl-4-methyl-2-oxidanylidene-1,4,5,6-tetrahydro-3,1-benzoxazocin-6-yl] ethanoate

Systemtic Name: [(4R,5R,6S)-5-bromanyl-4-methyl-2-oxidanylidene-1,4,5,6-tetrahydro-3,1-benzoxazocin-6-yl] ethanoate Openeye Name: [(4R,5R,6S)-5-bromo-4-methyl-2-oxo-1,4,5,6-tetrahydro-3,1-benzoxazocin-6-yl] acetate CAS Name: acetic acid [(4R,5R,6S)-5-bromo-4-methyl-2-oxo-1,4,5,6-tetrahydro-3,1-benzoxazocin-6-yl] ester IUPAC Name: [(4R,5R,6S)-5-bromo-4-methyl-2-oxo-1,4,5,6-tetrahydro-3,1-benzoxazocin-6-yl] acetate Traditional Name: acetic acid [(4R,5R,6S)-5-bromo-2-keto-4-methyl-1,4,5,6-tetrahydro-3,1-benzoxazocin-6-yl] ester Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C2=CC=CC=C2NC(=O)O1)OC(=O)C)Br

Isomeric SMILES

C[C@@H]1[C@H]([C@H](C2=CC=CC=C2NC(=O)O1)OC(=O)C)Br

InChI

InChI=1S/C13H14BrNO4/c1-7-11(14)12(19-8(2)16)9-5-3-4-6-10(9)15-13(17)18-7/h3-7,11-12H,1-2H3,(H,15,17)/t7-,11-,12+/m1/s1