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

Systemtic Name: 2-azanyl-3-[(3-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-nitropyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3-nitro-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3-nitropyrazol-1-yl)methylthio]propionic acid Formula: C7H10N4O4S MolecularWeight: 246.2437

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1[N+](=O)[O-])CSCC(C(=O)O)N

Isomeric SMILES

C1=CN(N=C1[N+](=O)[O-])CSCC(C(=O)O)N

InChI

InChI=1S/C7H10N4O4S/c8-5(7(12)13)3-16-4-10-2-1-6(9-10)11(14)15/h1-2,5H,3-4,8H2,(H,12,13)