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

Systemtic Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol Openeye Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol CAS Name: 1-(3,5-dimethyl-4-nitro-1-pyrazolyl)-3-(4-ethylphenoxy)-2-propanol IUPAC Name: 1-(3,5-dimethyl-4-nitropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol Traditional Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)O

InChI

InChI=1S/C16H21N3O4/c1-4-13-5-7-15(8-6-13)23-10-14(20)9-18-12(3)16(19(21)22)11(2)17-18/h5-8,14,20H,4,9-10H2,1-3H3