2-azanyl-3-[(4-chloranyl-3-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-chloranyl-3-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-chloro-3-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-chloro-3-nitro-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-chloro-3-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-chloro-3-nitro-pyrazol-1-yl)methylthio]propionic acid Formula: C7H9ClN4O4S MolecularWeight: 280.68876

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NN1CSCC(C(=O)O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=C(C(=NN1CSCC(C(=O)O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H9ClN4O4S/c8-4-1-11(10-6(4)12(15)16)3-17-2-5(9)7(13)14/h1,5H,2-3,9H2,(H,13,14)