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

Systemtic Name: 2-azanyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(4-nitro-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-nitropyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-nitropyrazol-1-yl)methylthio]propionic acid Formula: C7H10N4O4S MolecularWeight: 246.2437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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