2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid

Systemtic Name: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid Openeye Name: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid CAS Name: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid IUPAC Name: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid Traditional Name: 2-[3-(4-bromophenyl)-2H-1,4-benzoxazin-6-yl]propionic acid Formula: C17H14BrNO3 MolecularWeight: 360.20196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C17H14BrNO3/c1-10(17(20)21)12-4-7-16-14(8-12)19-15(9-22-16)11-2-5-13(18)6-3-11/h2-8,10H,9H2,1H3,(H,20,21)