(2-methanoylphenyl) 4,5-dinitrooxypentanoate

Systemtic Name: (2-methanoylphenyl) 4,5-dinitrooxypentanoate Openeye Name: (2-formylphenyl) 4,5-dinitrooxypentanoate CAS Name: 4,5-dinitrooxypentanoic acid (2-formylphenyl) ester IUPAC Name: (2-formylphenyl) 4,5-dinitrooxypentanoate Traditional Name: 4,5-dinitrooxyvaleric acid (2-formylphenyl) ester Formula: C12H12N2O9 MolecularWeight: 328.23168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O9/c15-7-9-3-1-2-4-11(9)22-12(16)6-5-10(23-14(19)20)8-21-13(17)18/h1-4,7,10H,5-6,8H2