3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoate

Systemtic Name: 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoate Openeye Name: 3,5-dinitro-4-(3-pyridylmethylamino)benzoate CAS Name: 3,5-dinitro-4-(3-pyridinylmethylamino)benzoate IUPAC Name: 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoate Traditional Name: 3,5-dinitro-4-(3-pyridylmethylamino)benzoate Formula: C13H9N4O6- MolecularWeight: 317.23376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6/c18-13(19)9-4-10(16(20)21)12(11(5-9)17(22)23)15-7-8-2-1-3-14-6-8/h1-6,15H,7H2,(H,18,19)/p-1