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

Systemtic Name: 4-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-methoxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one Formula: C9H15N3O2 MolecularWeight: 197.2343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC)C(=O)CN1C=NC=N1

Isomeric SMILES

CC(C)(COC)C(=O)CN1C=NC=N1

InChI

InChI=1S/C9H15N3O2/c1-9(2,5-14-3)8(13)4-12-7-10-6-11-12/h6-7H,4-5H2,1-3H3