2,2-dimethyl-6-[3-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxin-4-one

Systemtic Name: 2,2-dimethyl-6-[3-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxin-4-one Openeye Name: 2,2-dimethyl-6-[3-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxin-4-one CAS Name: 2,2-dimethyl-6-[3-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxin-4-one IUPAC Name: 2,2-dimethyl-6-[3-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxin-4-one Traditional Name: 2,2-dimethyl-6-[3-(1,2,4-triazol-1-yl)phenyl]-1,3-dioxin-4-one Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=CC(=O)O1)C2=CC(=CC=C2)N3C=NC=N3)C

Isomeric SMILES

CC1(OC(=CC(=O)O1)C2=CC(=CC=C2)N3C=NC=N3)C

InChI

InChI=1S/C14H13N3O3/c1-14(2)19-12(7-13(18)20-14)10-4-3-5-11(6-10)17-9-15-8-16-17/h3-9H,1-2H3