4-(4-chloranyl-3-methyl-5-nitro-pyrazol-1-yl)butanoic acid

Systemtic Name: 4-(4-chloranyl-3-methyl-5-nitro-pyrazol-1-yl)butanoic acid Openeye Name: 4-(4-chloro-3-methyl-5-nitro-pyrazol-1-yl)butanoic acid CAS Name: 4-(4-chloro-3-methyl-5-nitro-1-pyrazolyl)butanoic acid IUPAC Name: 4-(4-chloro-3-methyl-5-nitropyrazol-1-yl)butanoic acid Traditional Name: 4-(4-chloro-3-methyl-5-nitro-pyrazol-1-yl)butyric acid Formula: C8H10ClN3O4 MolecularWeight: 247.6357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

CC1=NN(C(=C1Cl)[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C8H10ClN3O4/c1-5-7(9)8(12(15)16)11(10-5)4-2-3-6(13)14/h2-4H2,1H3,(H,13,14)