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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoic acid Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoic acid CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)benzoic acid IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoic acid Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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