2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoic acid

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoic acid Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetic acid Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid Formula: C7H9N3O4 MolecularWeight: 199.16406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N3O4/c1-4-7(10(13)14)5(2)9(8-4)3-6(11)12/h3H2,1-2H3,(H,11,12)