1-(diethylamino)-3-(5-nitro-2-pyrazol-1-yl-phenoxy)propan-2-ol

Systemtic Name: 1-(diethylamino)-3-(5-nitro-2-pyrazol-1-yl-phenoxy)propan-2-ol Openeye Name: 1-(diethylamino)-3-(5-nitro-2-pyrazol-1-yl-phenoxy)propan-2-ol CAS Name: 1-(diethylamino)-3-[5-nitro-2-(1-pyrazolyl)phenoxy]-2-propanol IUPAC Name: 1-(diethylamino)-3-(5-nitro-2-pyrazol-1-ylphenoxy)propan-2-ol Traditional Name: 1-(diethylamino)-3-(5-nitro-2-pyrazol-1-yl-phenoxy)propan-2-ol Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2C=CC=N2)O

Isomeric SMILES

CCN(CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2C=CC=N2)O

InChI

InChI=1S/C16H22N4O4/c1-3-18(4-2)11-14(21)12-24-16-10-13(20(22)23)6-7-15(16)19-9-5-8-17-19/h5-10,14,21H,3-4,11-12H2,1-2H3