3,5-dinitro-4-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3,5-dinitro-4-pyrrolidin-1-yl-benzoic acid Openeye Name: 3,5-dinitro-4-pyrrolidin-1-yl-benzoic acid CAS Name: 3,5-dinitro-4-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3,5-dinitro-4-pyrrolidin-1-ylbenzoic acid Traditional Name: 3,5-dinitro-4-pyrrolidino-benzoic acid Formula: C11H11N3O6 MolecularWeight: 281.22154

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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)