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

Systemtic Name: 4-[[2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinan-5-ylidene]methylamino]benzoic acid Openeye Name: 4-[(2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid CAS Name: 4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methylamino]benzoic acid IUPAC Name: 4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methylamino]benzoic acid Traditional Name: 4-[(2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O

InChI

InChI=1S/C18H13N3O5/c22-15-14(10-19-12-8-6-11(7-9-12)17(24)25)16(23)21(18(26)20-15)13-4-2-1-3-5-13/h1-10,19H,(H,24,25)(H,20,22,26)