(2S)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: (2S)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: (2S)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: (2S)-1-(3,5-dimethyl-1-pyrazolyl)-2-(3-methyl-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: (2S)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propan-1-one Traditional Name: (2S)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-pyrazol-1-yl)propan-1-one Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C(C)N2C=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C(=O)[C@H](C)N2C=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H15N5O3/c1-7-5-8(2)16(13-7)12(18)10(4)15-6-11(17(19)20)9(3)14-15/h5-6,10H,1-4H3/t10-/m0/s1