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

Systemtic Name: 2-[[5-ethyl-2,4,6-tris(oxidanylidene)-1-phenyl-1,3-diazinan-5-yl]carbamoyl]benzoic acid Openeye Name: 2-[(5-ethyl-2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-yl)carbamoyl]benzoic acid CAS Name: 2-[[(5-ethyl-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(5-ethyl-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-ethyl-2,4,6-triketo-1-phenyl-hexahydropyrimidin-5-yl)carbamoyl]benzoic acid Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H17N3O6/c1-2-20(22-15(24)13-10-6-7-11-14(13)16(25)26)17(27)21-19(29)23(18(20)28)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,22,24)(H,25,26)(H,21,27,29)