(2S)-1-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-2-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: (2S)-1-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-2-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: (2S)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-(4-nitropyrazol-1-yl)propan-1-one CAS Name: (2S)-1-(4-chloro-3,5-dimethyl-1-pyrazolyl)-2-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: (2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: (2S)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-2-(4-nitropyrazol-1-yl)propan-1-one Formula: C11H12ClN5O3 MolecularWeight: 297.69768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClN5O3/c1-6-10(12)7(2)16(14-6)11(18)8(3)15-5-9(4-13-15)17(19)20/h4-5,8H,1-3H3/t8-/m0/s1