(3E)-2-(6-methoxypyridin-3-yl)-3-(5-oxidanylidenepyridin-2-ylidene)-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: (3E)-2-(6-methoxypyridin-3-yl)-3-(5-oxidanylidenepyridin-2-ylidene)-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: (3E)-2-(6-methoxy-3-pyridyl)-3-(5-oxo-2-pyridylidene)-1H-1,2,4-triazole-5-carboxylic acid CAS Name: (3E)-2-(6-methoxy-3-pyridinyl)-3-(5-oxo-2-pyridinylidene)-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: (3E)-2-(6-methoxypyridin-3-yl)-3-(5-oxopyridin-2-ylidene)-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: (3E)-3-(5-keto-2-pyridylidene)-2-(6-methoxy-3-pyridyl)-1H-1,2,4-triazole-5-carboxylic acid Formula: C14H11N5O4 MolecularWeight: 313.26824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=C3C=CC(=O)C=N3)N=C(N2)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)N2/C(=C/3\C=CC(=O)C=N3)/N=C(N2)C(=O)O

InChI

InChI=1S/C14H11N5O4/c1-23-11-5-2-8(6-16-11)19-13(17-12(18-19)14(21)22)10-4-3-9(20)7-15-10/h2-7H,1H3,(H,17,18)(H,21,22)/b13-10+