(2S)-1-(2,5-dimethylphenyl)-2-(2-nitropyridin-3-yl)oxy-propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethylphenyl)-2-(2-nitropyridin-3-yl)oxy-propan-1-one Openeye Name: (2S)-1-(2,5-dimethylphenyl)-2-[(2-nitro-3-pyridyl)oxy]propan-1-one CAS Name: (2S)-1-(2,5-dimethylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]-1-propanone IUPAC Name: (2S)-1-(2,5-dimethylphenyl)-2-(2-nitropyridin-3-yl)oxypropan-1-one Traditional Name: (2S)-1-(2,5-dimethylphenyl)-2-[(2-nitro-3-pyridyl)oxy]propan-1-one Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC2=C(N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-10-6-7-11(2)13(9-10)15(19)12(3)22-14-5-4-8-17-16(14)18(20)21/h4-9,12H,1-3H3/t12-/m0/s1