(2-acetyloxyphenyl)carbonyloxymethyl 4-(3-nitrooxypropoxy)-2-oxidanyl-benzoate

Systemtic Name: (2-acetyloxyphenyl)carbonyloxymethyl 4-(3-nitrooxypropoxy)-2-oxidanyl-benzoate Openeye Name: (2-acetoxybenzoyl)oxymethyl 2-hydroxy-4-(3-nitrooxypropoxy)benzoate CAS Name: 2-hydroxy-4-(3-nitrooxypropoxy)benzoic acid [(2-acetyloxyphenyl)-oxomethoxy]methyl ester IUPAC Name: (2-acetyloxybenzoyl)oxymethyl 2-hydroxy-4-(3-nitrooxypropoxy)benzoate Traditional Name: 2-hydroxy-4-(3-nitrooxypropoxy)benzoic acid (2-acetoxybenzoyl)oxymethyl ester Formula: C20H19NO11 MolecularWeight: 449.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=C(C=C(C=C2)OCCCO[N+](=O)[O-])O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=C(C=C(C=C2)OCCCO[N+](=O)[O-])O

InChI

InChI=1S/C20H19NO11/c1-13(22)32-18-6-3-2-5-16(18)20(25)30-12-29-19(24)15-8-7-14(11-17(15)23)28-9-4-10-31-21(26)27/h2-3,5-8,11,23H,4,9-10,12H2,1H3