[2-(2,2-dimethylpropanoyloxy)-3-nitro-propyl] benzoate

Systemtic Name: [2-(2,2-dimethylpropanoyloxy)-3-nitro-propyl] benzoate Openeye Name: [2-(2,2-dimethylpropanoyloxy)-3-nitro-propyl] benzoate CAS Name: benzoic acid [2-(2,2-dimethyl-1-oxopropoxy)-3-nitropropyl] ester IUPAC Name: [2-(2,2-dimethylpropanoyloxy)-3-nitropropyl] benzoate Traditional Name: benzoic acid (3-nitro-2-pivaloyloxy-propyl) ester Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(C[N+](=O)[O-])COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)OC(C[N+](=O)[O-])COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H19NO6/c1-15(2,3)14(18)22-12(9-16(19)20)10-21-13(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3