(phenylmethyl) 2-ethanoyl-6-(4-nitrophenoxy)hexanoate

Systemtic Name: (phenylmethyl) 2-ethanoyl-6-(4-nitrophenoxy)hexanoate Openeye Name: benzyl 2-acetyl-6-(4-nitrophenoxy)hexanoate CAS Name: 2-acetyl-6-(4-nitrophenoxy)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-6-(4-nitrophenoxy)hexanoate Traditional Name: 2-acetyl-6-(4-nitrophenoxy)hexanoic acid benzyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCOC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CCCCOC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO6/c1-16(23)20(21(24)28-15-17-7-3-2-4-8-17)9-5-6-14-27-19-12-10-18(11-13-19)22(25)26/h2-4,7-8,10-13,20H,5-6,9,14-15H2,1H3