(2-methanoylphenyl) 3,4-dinitrooxybutanoate

Systemtic Name: (2-methanoylphenyl) 3,4-dinitrooxybutanoate Openeye Name: (2-formylphenyl) 3,4-dinitrooxybutanoate CAS Name: 3,4-dinitrooxybutanoic acid (2-formylphenyl) ester IUPAC Name: (2-formylphenyl) 3,4-dinitrooxybutanoate Traditional Name: 3,4-dinitrooxybutyric acid (2-formylphenyl) ester Formula: C11H10N2O9 MolecularWeight: 314.2051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O9/c14-6-8-3-1-2-4-10(8)21-11(15)5-9(22-13(18)19)7-20-12(16)17/h1-4,6,9H,5,7H2