2-[2-(4-nitropyrazol-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 2-[2-(4-nitropyrazol-1-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butyric acid Formula: C9H12N4O5 MolecularWeight: 256.21538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CN1C=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NC(=O)CN1C=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O5/c1-2-7(9(15)16)11-8(14)5-12-4-6(3-10-12)13(17)18/h3-4,7H,2,5H2,1H3,(H,11,14)(H,15,16)