4-(3,5-dimethylpyrazol-1-yl)-3-nitro-benzoate

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-3-nitro-benzoate Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-3-nitrobenzoate IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-3-nitro-benzoate Formula: C12H10N3O4- MolecularWeight: 260.2255

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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)/p-1