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

Systemtic Name: 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-3-hydroxy-butyric acid Formula: C11H16N4O6 MolecularWeight: 300.26794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O6/c1-5-10(15(20)21)6(2)14(13-5)4-8(17)12-9(7(3)16)11(18)19/h7,9,16H,4H2,1-3H3,(H,12,17)(H,18,19)