3-(5-methyl-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate

Systemtic Name: 3-(5-methyl-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate Openeye Name: 3-(5-methyl-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate CAS Name: 3-(5-methyl-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate IUPAC Name: 3-(5-methyl-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate Traditional Name: 3-(3-keto-5-methyl-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propionate Formula: C13H11N4O3- MolecularWeight: 271.25144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N3C1=NC(=O)C(=N3)CCC(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N3C1=NC(=O)C(=N3)CCC(=O)[O-]

InChI

InChI=1S/C13H12N4O3/c1-16-9-4-2-3-5-10(9)17-13(16)14-12(20)8(15-17)6-7-11(18)19/h2-5H,6-7H2,1H3,(H,18,19)/p-1