1-chloranyl-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 1-chloranyl-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 1-chloro-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 1-chloro-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 1-chloro-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 1-chloro-3,3-dimethyl-4-phenoxy-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=CC=C1)C(=O)C(N2C=NC=N2)Cl

Isomeric SMILES

CC(C)(COC1=CC=CC=C1)C(=O)C(N2C=NC=N2)Cl

InChI

InChI=1S/C14H16ClN3O2/c1-14(2,8-20-11-6-4-3-5-7-11)12(19)13(15)18-10-16-9-17-18/h3-7,9-10,13H,8H2,1-2H3