(Z)-2-(4-fluoranylphenoxy)-1-imidazol-1-yl-4,4-dimethyl-pent-1-en-3-one nitrate

Systemtic Name: (Z)-2-(4-fluoranylphenoxy)-1-imidazol-1-yl-4,4-dimethyl-pent-1-en-3-one nitrate Openeye Name: (Z)-2-(4-fluorophenoxy)-1-imidazol-1-yl-4,4-dimethyl-pent-1-en-3-one nitrate CAS Name: (Z)-2-(4-fluorophenoxy)-1-(1-imidazolyl)-4,4-dimethyl-1-penten-3-one nitrate IUPAC Name: (Z)-2-(4-fluorophenoxy)-1-imidazol-1-yl-4,4-dimethylpent-1-en-3-one nitrate Traditional Name: (Z)-2-(4-fluorophenoxy)-1-imidazol-1-yl-4,4-dimethyl-pent-1-en-3-one nitrate Formula: C16H17FN3O5- MolecularWeight: 350.321683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CN1C=CN=C1)OC2=CC=C(C=C2)F.[N+](=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/N1C=CN=C1)/OC2=CC=C(C=C2)F.[N+](=O)([O-])[O-]

InChI

InChI=1S/C16H17FN2O2.NO3/c1-16(2,3)15(20)14(10-19-9-8-18-11-19)21-13-6-4-12(17)5-7-13;2-1(3)4/h4-11H,1-3H3;/q;-1/b14-10-;