4-(3,5-dimethylpyrazol-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-3-nitro-benzoic acid CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-3-nitrobenzoic acid IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-3-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)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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