5-nitro-2-(pyridin-4-ylmethoxy)benzoate

Systemtic Name: 5-nitro-2-(pyridin-4-ylmethoxy)benzoate Openeye Name: 5-nitro-2-(4-pyridylmethoxy)benzoate CAS Name: 5-nitro-2-(pyridin-4-ylmethoxy)benzoate IUPAC Name: 5-nitro-2-(pyridin-4-ylmethoxy)benzoate Traditional Name: 5-nitro-2-(4-pyridylmethoxy)benzoate Formula: C13H9N2O5- MolecularWeight: 273.22096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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