2-(3-methyl-4-pyridin-2-yloxy-phenyl)-2-oxidanidyl-5-oxidanylidene-3,4-dihydro-1,2,4-triazin-2-ium-6-carboxylic acid

Systemtic Name: 2-(3-methyl-4-pyridin-2-yloxy-phenyl)-2-oxidanidyl-5-oxidanylidene-3,4-dihydro-1,2,4-triazin-2-ium-6-carboxylic acid Openeye Name: 2-[3-methyl-4-(2-pyridyloxy)phenyl]-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-carboxylic acid CAS Name: 2-[3-methyl-4-(2-pyridinyloxy)phenyl]-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-carboxylic acid IUPAC Name: 2-(3-methyl-4-pyridin-2-yloxyphenyl)-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-carboxylic acid Traditional Name: 5-keto-2-[3-methyl-4-(2-pyridyloxy)phenyl]-2-oxido-3,4-dihydro-1,2,4-triazin-2-ium-6-carboxylic acid Formula: C16H14N4O5 MolecularWeight: 342.30616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+]2(CNC(=O)C(=N2)C(=O)O)[O-])OC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+]2(CNC(=O)C(=N2)C(=O)O)[O-])OC3=CC=CC=N3

InChI

InChI=1S/C16H14N4O5/c1-10-8-11(5-6-12(10)25-13-4-2-3-7-17-13)20(24)9-18-15(21)14(19-20)16(22)23/h2-8H,9H2,1H3,(H,18,21)(H,22,23)