ethyl 5-nitro-2-(4-oxidanylidene-6,8-dioxabicyclo[3.2.1]octan-2-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-(4-oxidanylidene-6,8-dioxabicyclo[3.2.1]octan-2-yl)pyrazole-3-carboxylate Openeye Name: ethyl 5-nitro-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)pyrazole-3-carboxylate CAS Name: 5-nitro-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)pyrazole-3-carboxylate Traditional Name: 2-(4-keto-6,8-dioxabicyclo[3.2.1]octan-2-yl)-5-nitro-pyrazole-3-carboxylic acid ethyl ester Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2CC(=O)C3OCC2O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2CC(=O)C3OCC2O3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7/c1-2-20-11(17)7-4-10(15(18)19)13-14(7)6-3-8(16)12-21-5-9(6)22-12/h4,6,9,12H,2-3,5H2,1H3