(3-nitro-2-oxidanyl-propyl) benzoate

Systemtic Name: (3-nitro-2-oxidanyl-propyl) benzoate Openeye Name: (2-hydroxy-3-nitro-propyl) benzoate CAS Name: benzoic acid (2-hydroxy-3-nitropropyl) ester IUPAC Name: (2-hydroxy-3-nitropropyl) benzoate Traditional Name: benzoic acid (2-hydroxy-3-nitro-propyl) ester Formula: C10H11NO5 MolecularWeight: 225.19804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5/c12-9(6-11(14)15)7-16-10(13)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2