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

Systemtic Name: (phenylmethyl) 3-[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c17-11(20-8-9-4-2-1-3-5-9)7-6-10-12(18)14-13(19)16-15-10/h1-5H,6-8H2,(H2,14,16,18,19)