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

Systemtic Name: 3-methyl-2-[2-(4-nitropyrazol-1-yl)ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butyric acid Formula: C10H14N4O5 MolecularWeight: 270.24196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O5/c1-6(2)9(10(16)17)12-8(15)5-13-4-7(3-11-13)14(18)19/h3-4,6,9H,5H2,1-2H3,(H,12,15)(H,16,17)