3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoic acid

Systemtic Name: 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoic acid Openeye Name: 3,5-dinitro-4-(3-pyridylmethylamino)benzoic acid CAS Name: 3,5-dinitro-4-(3-pyridinylmethylamino)benzoic acid IUPAC Name: 3,5-dinitro-4-(pyridin-3-ylmethylamino)benzoic acid Traditional Name: 3,5-dinitro-4-(3-pyridylmethylamino)benzoic acid Formula: C13H10N4O6 MolecularWeight: 318.2417

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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)