2-(2-nitrooxyethyl)-3-pyridin-3-ylcarbonyloxy-benzoate

Systemtic Name: 2-(2-nitrooxyethyl)-3-pyridin-3-ylcarbonyloxy-benzoate Openeye Name: 2-(2-nitrooxyethyl)-3-(pyridine-3-carbonyloxy)benzoate CAS Name: 2-(2-nitrooxyethyl)-3-[oxo(3-pyridinyl)methoxy]benzoate IUPAC Name: 2-(2-nitrooxyethyl)-3-(pyridine-3-carbonyloxy)benzoate Traditional Name: 3-nicotinoyloxy-2-(2-nitrooxyethyl)benzoate Formula: C15H11N2O7- MolecularWeight: 331.25704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O7/c18-14(19)12-4-1-5-13(11(12)6-8-23-17(21)22)24-15(20)10-3-2-7-16-9-10/h1-5,7,9H,6,8H2,(H,18,19)/p-1