2-(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)-4-methyl-1,2,4-triazinane-3,5-dione

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)-4-methyl-1,2,4-triazinane-3,5-dione Openeye Name: 2-(4-chloro-2-fluoro-5-prop-2-ynoxy-phenyl)-4-methyl-1,2,4-triazinane-3,5-dione CAS Name: 2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-4-methyl-1,2,4-triazinane-3,5-dione IUPAC Name: 2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-4-methyl-1,2,4-triazinane-3,5-dione Traditional Name: 2-(4-chloro-2-fluoro-5-propargyloxy-phenyl)-4-methyl-1,2,4-triazinane-3,5-quinone Formula: C13H11ClFN3O3 MolecularWeight: 311.696143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CNN(C1=O)C2=CC(=C(C=C2F)Cl)OCC#C

Isomeric SMILES

CN1C(=O)CNN(C1=O)C2=CC(=C(C=C2F)Cl)OCC#C

InChI

InChI=1S/C13H11ClFN3O3/c1-3-4-21-11-6-10(9(15)5-8(11)14)18-13(20)17(2)12(19)7-16-18/h1,5-6,16H,4,7H2,2H3