(4-nitrophenyl) 5-oxidanylidene-3-phenyl-hexanoate

Systemtic Name: (4-nitrophenyl) 5-oxidanylidene-3-phenyl-hexanoate Openeye Name: (4-nitrophenyl) 5-oxo-3-phenyl-hexanoate CAS Name: 5-oxo-3-phenylhexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-oxo-3-phenylhexanoate Traditional Name: 5-keto-3-phenyl-hexanoic acid (4-nitrophenyl) ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H17NO5/c1-13(20)11-15(14-5-3-2-4-6-14)12-18(21)24-17-9-7-16(8-10-17)19(22)23/h2-10,15H,11-12H2,1H3