2-[4-(4-bromophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: 2-[4-(4-bromophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate Openeye Name: 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate IUPAC Name: 2-[4-(4-bromophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-(4-bromophenyl)-5-keto-1,2,4-triazol-1-yl]acetate Formula: C10H7BrN3O3- MolecularWeight: 297.08488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN(C2=O)CC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1N2C=NN(C2=O)CC(=O)[O-])Br

InChI

InChI=1S/C10H8BrN3O3/c11-7-1-3-8(4-2-7)13-6-12-14(10(13)17)5-9(15)16/h1-4,6H,5H2,(H,15,16)/p-1