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

Systemtic Name: 3-nitro-4-(pyridin-4-ylmethoxy)benzoic acid Openeye Name: 3-nitro-4-(4-pyridylmethoxy)benzoic acid CAS Name: 3-nitro-4-(pyridin-4-ylmethoxy)benzoic acid IUPAC Name: 3-nitro-4-(pyridin-4-ylmethoxy)benzoic acid Traditional Name: 3-nitro-4-(4-pyridylmethoxy)benzoic acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CC=NC=C2

InChI

InChI=1S/C13H10N2O5/c16-13(17)10-1-2-12(11(7-10)15(18)19)20-8-9-3-5-14-6-4-9/h1-7H,8H2,(H,16,17)