3-nitro-4-(pyridin-3-ylamino)benzoate

Systemtic Name: 3-nitro-4-(pyridin-3-ylamino)benzoate Openeye Name: 3-nitro-4-(3-pyridylamino)benzoate CAS Name: 3-nitro-4-(3-pyridinylamino)benzoate IUPAC Name: 3-nitro-4-(pyridin-3-ylamino)benzoate Traditional Name: 3-nitro-4-(3-pyridylamino)benzoate Formula: C12H8N3O4- MolecularWeight: 258.20962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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