3-[[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]carbamoyl]benzoic acid Openeye Name: 3-[(2,4,6-trioxo-5-phenyl-hexahydropyrimidin-5-yl)carbamoyl]benzoic acid CAS Name: 3-[oxo-[(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)amino]methyl]benzoic acid IUPAC Name: 3-[(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)carbamoyl]benzoic acid Traditional Name: 3-[(2,4,6-triketo-5-phenyl-hexahydropyrimidin-5-yl)carbamoyl]benzoic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)NC(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)NC(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H13N3O6/c22-13(10-5-4-6-11(9-10)14(23)24)21-18(12-7-2-1-3-8-12)15(25)19-17(27)20-16(18)26/h1-9H,(H,21,22)(H,23,24)(H2,19,20,25,26,27)