3-[4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[4-[5-(4-bromophenyl)-2-pyrazolin-3-yl]phenyl]oxadiazol-3-ium-5-olate Formula: C17H13BrN4O2 MolecularWeight: 385.21472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NN=C1C2=CC=C(C=C2)[N+]3=NOC(=C3)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1C(NN=C1C2=CC=C(C=C2)[N+]3=NOC(=C3)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H13BrN4O2/c18-13-5-1-11(2-6-13)15-9-16(20-19-15)12-3-7-14(8-4-12)22-10-17(23)24-21-22/h1-8,10,15H,9H2,(H-,19,21,23)