4-(6-cyano-3-ethoxy-4-methyl-5-oxidanylidene-3H-1,2,4-triazin-2-yl)benzoic acid

Systemtic Name: 4-(6-cyano-3-ethoxy-4-methyl-5-oxidanylidene-3H-1,2,4-triazin-2-yl)benzoic acid Openeye Name: 4-(6-cyano-3-ethoxy-4-methyl-5-oxo-3H-1,2,4-triazin-2-yl)benzoic acid CAS Name: 4-(6-cyano-3-ethoxy-4-methyl-5-oxo-3H-1,2,4-triazin-2-yl)benzoic acid IUPAC Name: 4-(6-cyano-3-ethoxy-4-methyl-5-oxo-3H-1,2,4-triazin-2-yl)benzoic acid Traditional Name: 4-(6-cyano-3-ethoxy-5-keto-4-methyl-3H-1,2,4-triazin-2-yl)benzoic acid Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)C(=O)O)C#N)C

Isomeric SMILES

CCOC1N(C(=O)C(=NN1C2=CC=C(C=C2)C(=O)O)C#N)C

InChI

InChI=1S/C14H14N4O4/c1-3-22-14-17(2)12(19)11(8-15)16-18(14)10-6-4-9(5-7-10)13(20)21/h4-7,14H,3H2,1-2H3,(H,20,21)