[2-butanoyloxy-3-nitro-5-(2-phenylethanoyl)phenyl] butanoate

Systemtic Name: [2-butanoyloxy-3-nitro-5-(2-phenylethanoyl)phenyl] butanoate Openeye Name: [2-butanoyloxy-3-nitro-5-(2-phenylacetyl)phenyl] butanoate CAS Name: butanoic acid [3-nitro-2-(1-oxobutoxy)-5-(1-oxo-2-phenylethyl)phenyl] ester IUPAC Name: [2-butanoyloxy-3-nitro-5-(2-phenylacetyl)phenyl] butanoate Traditional Name: butyric acid [2-butyryloxy-3-nitro-5-(2-phenylacetyl)phenyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=CC(=C1OC(=O)CCC)[N+](=O)[O-])C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)OC1=CC(=CC(=C1OC(=O)CCC)[N+](=O)[O-])C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H23NO7/c1-3-8-20(25)29-19-14-16(18(24)12-15-10-6-5-7-11-15)13-17(23(27)28)22(19)30-21(26)9-4-2/h5-7,10-11,13-14H,3-4,8-9,12H2,1-2H3