3-[(4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-nitropyrazol-1-yl)methylthio]propionic acid Formula: C7H9N3O4S MolecularWeight: 231.22906

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CSCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CSCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O4S/c11-7(12)1-2-15-5-9-4-6(3-8-9)10(13)14/h3-4H,1-2,5H2,(H,11,12)