methyl 4-(3-ethanoyl-6-oxidanylidene-2,5-dihydro-1,2,4-triazin-1-yl)benzoate

Systemtic Name: methyl 4-(3-ethanoyl-6-oxidanylidene-2,5-dihydro-1,2,4-triazin-1-yl)benzoate Openeye Name: methyl 4-(3-acetyl-6-oxo-2,5-dihydro-1,2,4-triazin-1-yl)benzoate CAS Name: 4-(3-acetyl-6-oxo-2,5-dihydro-1,2,4-triazin-1-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-acetyl-6-oxo-2,5-dihydro-1,2,4-triazin-1-yl)benzoate Traditional Name: 4-(3-acetyl-6-keto-2,5-dihydro-1,2,4-triazin-1-yl)benzoic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NCC(=O)N(N1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)C1=NCC(=O)N(N1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H13N3O4/c1-8(17)12-14-7-11(18)16(15-12)10-5-3-9(4-6-10)13(19)20-2/h3-6H,7H2,1-2H3,(H,14,15)