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

Systemtic Name: 4-[3-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoic acid Openeye Name: 4-(3-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)benzoic acid CAS Name: 4-(3-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid IUPAC Name: 4-(3-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid Traditional Name: 4-(3-butyl-2,4,6-triketo-hexahydropyrimidin-1-yl)benzoic acid Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCN1C(=O)CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H16N2O5/c1-2-3-8-16-12(18)9-13(19)17(15(16)22)11-6-4-10(5-7-11)14(20)21/h4-7H,2-3,8-9H2,1H3,(H,20,21)