3-nitro-4-(pyridin-4-ylamino)benzoic acid

Systemtic Name: 3-nitro-4-(pyridin-4-ylamino)benzoic acid Openeye Name: 3-nitro-4-(4-pyridylamino)benzoic acid CAS Name: 3-nitro-4-(pyridin-4-ylamino)benzoic acid IUPAC Name: 3-nitro-4-(pyridin-4-ylamino)benzoic acid Traditional Name: 3-nitro-4-(4-pyridylamino)benzoic acid Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC=NC=C2

InChI

InChI=1S/C12H9N3O4/c16-12(17)8-1-2-10(11(7-8)15(18)19)14-9-3-5-13-6-4-9/h1-7H,(H,13,14)(H,16,17)