2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzoic acid

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzoic acid Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzoic acid CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-5-nitrobenzoic acid IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitrobenzoic acid Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzoic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C12H11N3O4/c1-7-5-8(2)14(13-7)11-4-3-9(15(18)19)6-10(11)12(16)17/h3-6H,1-2H3,(H,16,17)