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

Systemtic Name: 2-azanyl-3-[(5-methyl-3-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(5-methyl-3-nitro-pyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-methyl-3-nitro-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-methyl-3-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-methyl-3-nitro-pyrazol-1-yl)methylthio]propionic acid Formula: C8H12N4O4S MolecularWeight: 260.27028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4O4S/c1-5-2-7(12(15)16)10-11(5)4-17-3-6(9)8(13)14/h2,6H,3-4,9H2,1H3,(H,13,14)