(2-nonanoyloxyphenyl) 4-nitrobenzoate

Systemtic Name: (2-nonanoyloxyphenyl) 4-nitrobenzoate Openeye Name: (2-nonanoyloxyphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-oxononoxy)phenyl] ester IUPAC Name: (2-nonanoyloxyphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-pelargonyloxyphenyl) ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-2-3-4-5-6-7-12-21(24)28-19-10-8-9-11-20(19)29-22(25)17-13-15-18(16-14-17)23(26)27/h8-11,13-16H,2-7,12H2,1H3