4-[5-[(5-chloranyl-2-prop-2-ynoxy-phenyl)methylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 4-[5-[(5-chloranyl-2-prop-2-ynoxy-phenyl)methylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoic acid Openeye Name: 4-[5-[(5-chloro-2-prop-2-ynoxy-phenyl)methylene]-2,4,6-trioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 4-[5-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 4-[5-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid Traditional Name: 4-[5-(5-chloro-2-propargyloxy-benzylidene)-2,4,6-triketo-hexahydropyrimidin-1-yl]benzoic acid Formula: C21H13ClN2O6 MolecularWeight: 424.79072

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Cl)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Cl)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H13ClN2O6/c1-2-9-30-17-8-5-14(22)10-13(17)11-16-18(25)23-21(29)24(19(16)26)15-6-3-12(4-7-15)20(27)28/h1,3-8,10-11H,9H2,(H,27,28)(H,23,25,29)