phenacyl 3-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: phenacyl 3-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: phenacyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate CAS Name: 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoic acid phenacyl ester IUPAC Name: phenacyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate Traditional Name: 3-(3,5-diketo-2H-1,2,4-triazin-6-yl)propionic acid phenacyl ester Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NNC(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NNC(=O)NC2=O

InChI

InChI=1S/C14H13N3O5/c18-11(9-4-2-1-3-5-9)8-22-12(19)7-6-10-13(20)15-14(21)17-16-10/h1-5H,6-8H2,(H2,15,17,20,21)