2-(2-methylpropanoyloxy)ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-(2-methylpropanoyloxy)ethyl 3,5-dinitrobenzoate Openeye Name: 2-(2-methylpropanoyloxy)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(2-methyl-1-oxopropoxy)ethyl ester IUPAC Name: 2-(2-methylpropanoyloxy)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-isobutyryloxyethyl ester Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8/c1-8(2)12(16)22-3-4-23-13(17)9-5-10(14(18)19)7-11(6-9)15(20)21/h5-8H,3-4H2,1-2H3