2-[[4-(1,2,4-triazol-4-yl)phenyl]azaniumyl]ethanoate

Systemtic Name: 2-[[4-(1,2,4-triazol-4-yl)phenyl]azaniumyl]ethanoate Openeye Name: 2-[[4-(1,2,4-triazol-4-yl)phenyl]ammonio]acetate CAS Name: 2-[[4-(1,2,4-triazol-4-yl)phenyl]ammonio]acetate IUPAC Name: 2-[[4-(1,2,4-triazol-4-yl)phenyl]azaniumyl]acetate Traditional Name: 2-[[4-(1,2,4-triazol-4-yl)phenyl]ammonio]acetate Formula: C10H10N4O2 MolecularWeight: 218.212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[NH2+]CC(=O)[O-])N2C=NN=C2

Isomeric SMILES

C1=CC(=CC=C1[NH2+]CC(=O)[O-])N2C=NN=C2

InChI

InChI=1S/C10H10N4O2/c15-10(16)5-11-8-1-3-9(4-2-8)14-6-12-13-7-14/h1-4,6-7,11H,5H2,(H,15,16)