1-(4-bromophenyl)ethanone; 2-(2-oxidanylidene-3H-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 1-(4-bromophenyl)ethanone; 2-(2-oxidanylidene-3H-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 1-(4-bromophenyl)ethanone; 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid CAS Name: 1-(4-bromophenyl)ethanone; 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 1-(4-bromophenyl)ethanone; 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 1-(4-bromophenyl)ethanone; 2-(2-keto-3H-1,4-benzoxazin-4-yl)acetic acid Formula: C18H16BrNO5 MolecularWeight: 406.22734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)Br.C1C(=O)OC2=CC=CC=C2N1CC(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)Br.C1C(=O)OC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C10H9NO4.C8H7BrO/c12-9(13)5-11-6-10(14)15-8-4-2-1-3-7(8)11;1-6(10)7-2-4-8(9)5-3-7/h1-4H,5-6H2,(H,12,13);2-5H,1H3