3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]butanoic acid CAS Name: 3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]butyric acid Formula: C11H16N4O5 MolecularWeight: 284.26854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C)CC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(C)CC(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5/c1-6(4-10(17)18)12-9(16)5-14-8(3)11(15(19)20)7(2)13-14/h6H,4-5H2,1-3H3,(H,12,16)(H,17,18)