1-(4-tert-butylphenoxy)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-ol

Systemtic Name: 1-(4-tert-butylphenoxy)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-ol Openeye Name: 1-(4-tert-butylphenoxy)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-ol CAS Name: 1-(4-tert-butylphenoxy)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-propanol IUPAC Name: 1-(4-tert-butylphenoxy)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ol Traditional Name: 1-(4-tert-butylphenoxy)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-ol Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-12-17(21(23)24)13(2)20(19-12)10-15(22)11-25-16-8-6-14(7-9-16)18(3,4)5/h6-9,15,22H,10-11H2,1-5H3