3-(3-oxidanylidene-6-phenyl-4,5-dihydroimidazo[1,2-b][1,2,4]triazin-8-ium-2-yl)propanoate

Systemtic Name: 3-(3-oxidanylidene-6-phenyl-4,5-dihydroimidazo[1,2-b][1,2,4]triazin-8-ium-2-yl)propanoate Openeye Name: 3-(3-oxo-6-phenyl-4,5-dihydroimidazo[1,2-b][1,2,4]triazin-8-ium-2-yl)propanoate CAS Name: 3-(3-oxo-6-phenyl-4,5-dihydroimidazo[1,2-b][1,2,4]triazin-8-ium-2-yl)propanoate IUPAC Name: 3-(3-oxo-6-phenyl-4,5-dihydroimidazo[1,2-b][1,2,4]triazin-8-ium-2-yl)propanoate Traditional Name: 3-(3-keto-6-phenyl-4,5-dihydroimidazo[1,2-b][1,2,4]triazin-8-ium-2-yl)propionate Formula: C14H12N4O3 MolecularWeight: 284.27008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+]3=C(N2)NC(=O)C(=N3)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+]3=C(N2)NC(=O)C(=N3)CCC(=O)[O-]

InChI

InChI=1S/C14H12N4O3/c19-12(20)7-6-10-13(21)16-14-15-11(8-18(14)17-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,16,19,20,21)