3-[2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-3-yl]propanoic acid bromide

Systemtic Name: 3-[2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-3-yl]propanoic acid bromide Openeye Name: 3-[2-[(E)-2-anilinovinyl]-1,3-benzoxazol-3-ium-3-yl]propanoic acid bromide CAS Name: 3-[2-[(E)-2-anilinoethenyl]-1,3-benzoxazol-3-ium-3-yl]propanoic acid bromide IUPAC Name: 3-[2-[(E)-2-anilinoethenyl]-1,3-benzoxazol-3-ium-3-yl]propanoic acid bromide Traditional Name: 3-[2-[(E)-2-anilinovinyl]-1,3-benzoxazol-3-ium-3-yl]propionic acid bromide Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3O2)CCC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3O2)CCC(=O)O.[Br-]

InChI

InChI=1S/C18H16N2O3.BrH/c21-18(22)11-13-20-15-8-4-5-9-16(15)23-17(20)10-12-19-14-6-2-1-3-7-14;/h1-10,12H,11,13H2,(H,21,22);1H