2-azanyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]propionic acid Formula: C9H14N4O4S MolecularWeight: 274.29686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSCC(C(=O)O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CSCC(C(=O)O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C9H14N4O4S/c1-5-8(13(16)17)6(2)12(11-5)4-18-3-7(10)9(14)15/h7H,3-4,10H2,1-2H3,(H,14,15)