3,5-dinitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 3,5-dinitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 3,5-dinitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3,5-dinitro-4-(1-pyrrolidinyl)benzoate IUPAC Name: 3,5-dinitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3,5-dinitro-4-pyrrolidino-benzoate Formula: C11H10N3O6- MolecularWeight: 280.2136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O6/c15-11(16)7-5-8(13(17)18)10(9(6-7)14(19)20)12-3-1-2-4-12/h5-6H,1-4H2,(H,15,16)/p-1