ethyl (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoate

Systemtic Name: ethyl (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoate Openeye Name: ethyl (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoate CAS Name: (2S)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate Traditional Name: (2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionic acid ethyl ester Formula: C10H15N3O4 MolecularWeight: 241.2438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@H](C)N1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C10H15N3O4/c1-5-17-10(14)8(4)12-7(3)9(13(15)16)6(2)11-12/h8H,5H2,1-4H3/t8-/m0/s1