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

Systemtic Name: (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-phenyl-ethanoate Openeye Name: (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-phenylacetate IUPAC Name: (2S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-phenyl-acetate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1[C@@H](C2=CC=CC=C2)C(=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-8-11(16(19)20)9(2)15(14-8)12(13(17)18)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,17,18)/p-1/t12-/m0/s1