1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one nitrate

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one nitrate Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one nitrate CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-2-ium-2-yl)-2-butanone nitrate IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one nitrate Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-2-ium-2-yl)butan-2-one nitrate Formula: C14H17ClN4O5 MolecularWeight: 356.76158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C([N+]1=CN=CN1)OC2=CC=C(C=C2)Cl.[N+](=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C(=O)C([N+]1=CN=CN1)OC2=CC=C(C=C2)Cl.[N+](=O)([O-])[O-]

InChI

InChI=1S/C14H16ClN3O2.NO3/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11;2-1(3)4/h4-9,13H,1-3H3;/q;-1/p+1