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

Systemtic Name: ethyl 4-(6-cyano-3-ethoxy-4-methyl-5-oxidanylidene-3H-1,2,4-triazin-2-yl)benzoate Openeye Name: ethyl 4-(6-cyano-3-ethoxy-4-methyl-5-oxo-3H-1,2,4-triazin-2-yl)benzoate CAS Name: 4-(6-cyano-3-ethoxy-4-methyl-5-oxo-3H-1,2,4-triazin-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-cyano-3-ethoxy-4-methyl-5-oxo-3H-1,2,4-triazin-2-yl)benzoate Traditional Name: 4-(6-cyano-3-ethoxy-5-keto-4-methyl-3H-1,2,4-triazin-2-yl)benzoic acid ethyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-4-23-15(22)11-6-8-12(9-7-11)20-16(24-5-2)19(3)14(21)13(10-17)18-20/h6-9,16H,4-5H2,1-3H3