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

Systemtic Name: 3-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]benzoic acid Openeye Name: 3-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]benzoic acid CAS Name: 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid IUPAC Name: 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic acid Traditional Name: 3-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methylamino]benzoic acid Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O5/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-2-6(4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)