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

Systemtic Name: 4-(4-methyl-3-nitro-pyrazol-1-yl)butanoic acid Openeye Name: 4-(4-methyl-3-nitro-pyrazol-1-yl)butanoic acid CAS Name: 4-(4-methyl-3-nitro-1-pyrazolyl)butanoic acid IUPAC Name: 4-(4-methyl-3-nitropyrazol-1-yl)butanoic acid Traditional Name: 4-(4-methyl-3-nitro-pyrazol-1-yl)butyric acid Formula: C8H11N3O4 MolecularWeight: 213.19064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

CC1=CN(N=C1[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C8H11N3O4/c1-6-5-10(4-2-3-7(12)13)9-8(6)11(14)15/h5H,2-4H2,1H3,(H,12,13)