(2-oxidanylidene-2-pyridin-3-yl-ethyl) 2-nitrobenzoate

Systemtic Name: (2-oxidanylidene-2-pyridin-3-yl-ethyl) 2-nitrobenzoate Openeye Name: [2-oxo-2-(3-pyridyl)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(3-pyridinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyridin-3-ylethyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(3-pyridyl)ethyl] ester Formula: C14H10N2O5 MolecularWeight: 286.2396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O5/c17-13(10-4-3-7-15-8-10)9-21-14(18)11-5-1-2-6-12(11)16(19)20/h1-8H,9H2