(1S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-ethanol

Systemtic Name: (1S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-ethanol Openeye Name: (1S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-ethanol CAS Name: (1S)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-phenylethanol IUPAC Name: (1S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-phenylethanol Traditional Name: (1S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-phenyl-ethanol Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1C[C@H](C2=CC=CC=C2)O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3/c1-9-13(16(18)19)10(2)15(14-9)8-12(17)11-6-4-3-5-7-11/h3-7,12,17H,8H2,1-2H3/t12-/m1/s1