(2S)-2-(4-nitropyrazol-1-yl)butanoate

Systemtic Name: (2S)-2-(4-nitropyrazol-1-yl)butanoate Openeye Name: (2S)-2-(4-nitropyrazol-1-yl)butanoate CAS Name: (2S)-2-(4-nitro-1-pyrazolyl)butanoate IUPAC Name: (2S)-2-(4-nitropyrazol-1-yl)butanoate Traditional Name: (2S)-2-(4-nitropyrazol-1-yl)butyrate Formula: C7H8N3O4- MolecularWeight: 198.15612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N3O4/c1-2-6(7(11)12)9-4-5(3-8-9)10(13)14/h3-4,6H,2H2,1H3,(H,11,12)/p-1/t6-/m0/s1