4-bromanyl-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-bromanyl-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-bromo-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 4-bromo-3-[4-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 4-bromo-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 4-bromo-3-[4-[(E)-3-(4-methoxyphenyl)acryloyl]phenyl]oxadiazol-3-ium-5-olate Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+]3=NOC(=C3Br)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+]3=NOC(=C3Br)[O-]

InChI

InChI=1S/C18H13BrN2O4/c1-24-15-9-2-12(3-10-15)4-11-16(22)13-5-7-14(8-6-13)21-17(19)18(23)25-20-21/h2-11H,1H3/b11-4+