methyl 4-oxidanyl-3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]benzoate

Systemtic Name: methyl 4-oxidanyl-3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]methyl]benzoate Openeye Name: methyl 4-hydroxy-3-[(2,4,6-trioxohexahydropyrimidin-5-yl)methyl]benzoate CAS Name: 4-hydroxy-3-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzoate Traditional Name: 4-hydroxy-3-[(2,4,6-triketohexahydropyrimidin-5-yl)methyl]benzoic acid methyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)CC2C(=O)NC(=O)NC2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)CC2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C13H12N2O6/c1-21-12(19)6-2-3-9(16)7(4-6)5-8-10(17)14-13(20)15-11(8)18/h2-4,8,16H,5H2,1H3,(H2,14,15,17,18,20)