2-[4-(2,3-dinitrooxypropoxy)phenyl]ethanoyloxymethyl 2-acetyloxybenzoate

Systemtic Name: 2-[4-(2,3-dinitrooxypropoxy)phenyl]ethanoyloxymethyl 2-acetyloxybenzoate Openeye Name: [2-[4-(2,3-dinitrooxypropoxy)phenyl]acetyl]oxymethyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [2-[4-(2,3-dinitrooxypropoxy)phenyl]-1-oxoethoxy]methyl ester IUPAC Name: [2-[4-(2,3-dinitrooxypropoxy)phenyl]acetyl]oxymethyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [2-[4-(2,3-dinitrooxypropoxy)phenyl]acetyl]oxymethyl ester Formula: C21H20N2O13 MolecularWeight: 508.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)CC2=CC=C(C=C2)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)CC2=CC=C(C=C2)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O13/c1-14(24)35-19-5-3-2-4-18(19)21(26)33-13-32-20(25)10-15-6-8-16(9-7-15)31-11-17(36-23(29)30)12-34-22(27)28/h2-9,17H,10-13H2,1H3