1-(3,5-dimethylpyrazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Openeye Name: 1-(3,5-dimethylpyrazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol hydrochloride CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-3-(4-nitrophenoxy)-2-propanol hydrochloride IUPAC Name: 1-(3,5-dimethylpyrazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Traditional Name: 1-(3,5-dimethylpyrazol-1-yl)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C.Cl

Isomeric SMILES

CC1=CC(=NN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C.Cl

InChI

InChI=1S/C14H17N3O4.ClH/c1-10-7-11(2)16(15-10)8-13(18)9-21-14-5-3-12(4-6-14)17(19)20;/h3-7,13,18H,8-9H2,1-2H3;1H