(2-octanoyloxyphenyl) 4-nitrobenzoate

Systemtic Name: (2-octanoyloxyphenyl) 4-nitrobenzoate Openeye Name: (2-octanoyloxyphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-oxooctoxy)phenyl] ester IUPAC Name: (2-octanoyloxyphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-caprylyloxyphenyl) ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO6/c1-2-3-4-5-6-11-20(23)27-18-9-7-8-10-19(18)28-21(24)16-12-14-17(15-13-16)22(25)26/h7-10,12-15H,2-6,11H2,1H3