3-[(2-nitropyridin-3-yl)oxymethyl]benzoate

Systemtic Name: 3-[(2-nitropyridin-3-yl)oxymethyl]benzoate Openeye Name: 3-[(2-nitro-3-pyridyl)oxymethyl]benzoate CAS Name: 3-[(2-nitro-3-pyridinyl)oxymethyl]benzoate IUPAC Name: 3-[(2-nitropyridin-3-yl)oxymethyl]benzoate Traditional Name: 3-[(2-nitro-3-pyridyl)oxymethyl]benzoate Formula: C13H9N2O5- MolecularWeight: 273.22096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=C(N=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(N=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

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