ethyl 2-(4-nitrophenyl)-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-(4-nitrophenyl)-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-(4-nitrophenyl)-3-oxo-hexanoate CAS Name: 2-(4-nitrophenyl)-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-(4-nitrophenyl)-3-oxohexanoate Traditional Name: 3-keto-2-(4-nitrophenyl)hexanoic acid ethyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-3-5-12(16)13(14(17)20-4-2)10-6-8-11(9-7-10)15(18)19/h6-9,13H,3-5H2,1-2H3