ethyl 2-nitro-5-oxidanylidene-3-phenyl-hexanoate

Systemtic Name: ethyl 2-nitro-5-oxidanylidene-3-phenyl-hexanoate Openeye Name: ethyl 2-nitro-5-oxo-3-phenyl-hexanoate CAS Name: 2-nitro-5-oxo-3-phenylhexanoic acid ethyl ester IUPAC Name: ethyl 2-nitro-5-oxo-3-phenylhexanoate Traditional Name: 5-keto-2-nitro-3-phenyl-hexanoic acid ethyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-3-20-14(17)13(15(18)19)12(9-10(2)16)11-7-5-4-6-8-11/h4-8,12-13H,3,9H2,1-2H3