O1-ethyl O3-(phenylmethyl) 2-(6-nitropyridin-3-yl)propanedioate

Systemtic Name: O1-ethyl O3-(phenylmethyl) 2-(6-nitropyridin-3-yl)propanedioate Openeye Name: O1-benzyl O3-ethyl 2-(6-nitro-3-pyridyl)propanedioate CAS Name: 2-(6-nitro-3-pyridinyl)propanedioic acid O1-ethyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-ethyl 2-(6-nitropyridin-3-yl)propanedioate Traditional Name: 2-(6-nitro-3-pyridyl)malonic acid O1-benzyl ester O3-ethyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-2-24-16(20)15(13-8-9-14(18-10-13)19(22)23)17(21)25-11-12-6-4-3-5-7-12/h3-10,15H,2,11H2,1H3