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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC=C2C(=O)NC(=O)NC2=O

InChI

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