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

Systemtic Name: 4-[[1-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoate Openeye Name: 4-[(1-methyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]benzoate CAS Name: 4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoate IUPAC Name: 4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoate Traditional Name: 4-[(2,4,6-triketo-1-methyl-hexahydropyrimidin-5-ylidene)methyl]benzoate Formula: C13H9N2O5- MolecularWeight: 273.22096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)NC1=O

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)NC1=O

InChI

InChI=1S/C13H10N2O5/c1-15-11(17)9(10(16)14-13(15)20)6-7-2-4-8(5-3-7)12(18)19/h2-6H,1H3,(H,18,19)(H,14,16,20)/p-1