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

Systemtic Name: 3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoic acid Openeye Name: 3-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]benzoic acid CAS Name: 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid IUPAC Name: 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid Traditional Name: 3-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]benzoic acid Formula: C12H8N2O5 MolecularWeight: 260.20232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C12H8N2O5/c15-9-8(10(16)14-12(19)13-9)5-6-2-1-3-7(4-6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)