4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoic acid

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoic acid Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoic acid CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoic acid Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyric acid Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4/c1-6-9(12(15)16)7(2)11(10-6)5-3-4-8(13)14/h3-5H2,1-2H3,(H,13,14)