ethyl 4-[6-(1-acetamidopropyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-(1-acetamidopropyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzoate Openeye Name: ethyl 4-[6-(1-acetamidopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzoate CAS Name: 4-[6-(1-acetamidopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-(1-acetamidopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzoate Traditional Name: 4-[6-(1-acetamidopropyl)-5-keto-2H-1,2,4-triazin-3-yl]benzoic acid ethyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)C(=O)OCC)NC(=O)C

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H20N4O4/c1-4-13(18-10(3)22)14-16(23)19-15(21-20-14)11-6-8-12(9-7-11)17(24)25-5-2/h6-9,13H,4-5H2,1-3H3,(H,18,22)(H,19,21,23)