ethyl 2-[(4-nitrophenyl)methyl]-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-[(4-nitrophenyl)methyl]-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-[(4-nitrophenyl)methyl]-3-oxo-hexanoate CAS Name: 2-[(4-nitrophenyl)methyl]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-nitrophenyl)methyl]-3-oxohexanoate Traditional Name: 3-keto-2-(4-nitrobenzyl)hexanoic acid ethyl ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H19NO5/c1-3-5-14(17)13(15(18)21-4-2)10-11-6-8-12(9-7-11)16(19)20/h6-9,13H,3-5,10H2,1-2H3