3-[(4-bromophenyl)methyl]-2-oxidanylidene-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid

Systemtic Name: 3-[(4-bromophenyl)methyl]-2-oxidanylidene-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid Openeye Name: 3-[(4-bromophenyl)methyl]-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid CAS Name: 3-[(4-bromophenyl)methyl]-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid IUPAC Name: 3-[(4-bromophenyl)methyl]-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid Traditional Name: 3-(4-bromobenzyl)-2-keto-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(OC(C(O2)C(=O)O)C(=O)N1CC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1C2(OC(C(O2)C(=O)O)C(=O)N1CC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C19H16BrNO5/c20-14-8-6-12(7-9-14)10-21-11-19(13-4-2-1-3-5-13)25-15(17(21)22)16(26-19)18(23)24/h1-9,15-16H,10-11H2,(H,23,24)