4-bromanyl-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-bromanyl-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-bromo-3-[4-[(E)-3-(p-tolyl)prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one CAS Name: 4-bromo-3-[4-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]phenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-bromo-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 4-bromo-3-[4-[(E)-3-(p-tolyl)acryloyl]phenyl]-2H-oxadiazol-3-ium-5-one Formula: C18H14BrN2O3+ MolecularWeight: 386.21936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+]3=C(C(=O)ON3)Br

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+]3=C(C(=O)ON3)Br

InChI

InChI=1S/C18H13BrN2O3/c1-12-2-4-13(5-3-12)6-11-16(22)14-7-9-15(10-8-14)21-17(19)18(23)24-20-21/h2-11H,1H3/p+1/b11-6+