(2,5-dimethylpyrazol-3-yl) 2,5-dinitrobenzoate

Systemtic Name: (2,5-dimethylpyrazol-3-yl) 2,5-dinitrobenzoate Openeye Name: (2,5-dimethylpyrazol-3-yl) 2,5-dinitrobenzoate CAS Name: 2,5-dinitrobenzoic acid (2,5-dimethyl-3-pyrazolyl) ester IUPAC Name: (2,5-dimethylpyrazol-3-yl) 2,5-dinitrobenzoate Traditional Name: 2,5-dinitrobenzoic acid (2,5-dimethylpyrazol-3-yl) ester Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O6/c1-7-5-11(14(2)13-7)22-12(17)9-6-8(15(18)19)3-4-10(9)16(20)21/h3-6H,1-2H3