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

Systemtic Name: 2-[2-(4-nitropyrazol-1-yl)ethanoylamino]hexanoic acid Openeye Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]hexanoic acid CAS Name: 2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]hexanoic acid Traditional Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]hexanoic acid Formula: C11H16N4O5 MolecularWeight: 284.26854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O5/c1-2-3-4-9(11(17)18)13-10(16)7-14-6-8(5-12-14)15(19)20/h5-6,9H,2-4,7H2,1H3,(H,13,16)(H,17,18)