2-(4-butanoylphenyl)-1,2,4-triazine-3,5-dione

Systemtic Name: 2-(4-butanoylphenyl)-1,2,4-triazine-3,5-dione Openeye Name: 2-(4-butanoylphenyl)-1,2,4-triazine-3,5-dione CAS Name: 2-[4-(1-oxobutyl)phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-(4-butanoylphenyl)-1,2,4-triazine-3,5-dione Traditional Name: 2-(4-butyrylphenyl)-1,2,4-triazine-3,5-quinone Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)N2C(=O)NC(=O)C=N2

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)N2C(=O)NC(=O)C=N2

InChI

InChI=1S/C13H13N3O3/c1-2-3-11(17)9-4-6-10(7-5-9)16-13(19)15-12(18)8-14-16/h4-8H,2-3H2,1H3,(H,15,18,19)