(2,5-dimethylpyrazol-3-yl) 4-nitrobenzoate

Systemtic Name: (2,5-dimethylpyrazol-3-yl) 4-nitrobenzoate Openeye Name: (2,5-dimethylpyrazol-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,5-dimethyl-3-pyrazolyl) ester IUPAC Name: (2,5-dimethylpyrazol-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2,5-dimethylpyrazol-3-yl) ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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