(2S)-2-(3-methyl-4-nitro-pyrazol-1-yl)propanoate

Systemtic Name: (2S)-2-(3-methyl-4-nitro-pyrazol-1-yl)propanoate Openeye Name: (2S)-2-(3-methyl-4-nitro-pyrazol-1-yl)propanoate CAS Name: (2S)-2-(3-methyl-4-nitro-1-pyrazolyl)propanoate IUPAC Name: (2S)-2-(3-methyl-4-nitropyrazol-1-yl)propanoate Traditional Name: (2S)-2-(3-methyl-4-nitro-pyrazol-1-yl)propionate Formula: C7H8N3O4- MolecularWeight: 198.15612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])C(C)C(=O)[O-]

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C7H9N3O4/c1-4-6(10(13)14)3-9(8-4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)/p-1/t5-/m0/s1