(4-nitrophenyl)methyl 4-oxidanylidenepentanoate

Systemtic Name: (4-nitrophenyl)methyl 4-oxidanylidenepentanoate Openeye Name: (4-nitrophenyl)methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid (4-nitrobenzyl) ester Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-9(14)2-7-12(15)18-8-10-3-5-11(6-4-10)13(16)17/h3-6H,2,7-8H2,1H3