methyl (1S,4S,8R)-6-bromanyl-3-oxidanylidene-4-phenylazanyl-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate

Systemtic Name: methyl (1S,4S,8R)-6-bromanyl-3-oxidanylidene-4-phenylazanyl-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate Openeye Name: methyl (1S,4S,8R)-4-anilino-6-bromo-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate CAS Name: (1S,4S,8R)-4-anilino-6-bromo-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8R)-4-anilino-6-bromo-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylate Traditional Name: (1S,4S,8R)-4-anilino-6-bromo-3-keto-2-oxabicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2C(=CC1(C(=O)O2)NC3=CC=CC=C3)Br

Isomeric SMILES

COC(=O)[C@@H]1C[C@H]2C(=C[C@@]1(C(=O)O2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C15H14BrNO4/c1-20-13(18)10-7-12-11(16)8-15(10,14(19)21-12)17-9-5-3-2-4-6-9/h2-6,8,10,12,17H,7H2,1H3/t10-,12-,15+/m0/s1