(4-octoxycarbonylphenyl) 4-nitrobenzoate

Systemtic Name: (4-octoxycarbonylphenyl) 4-nitrobenzoate Openeye Name: (4-octoxycarbonylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[octoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octoxycarbonylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-octoxycarbonylphenyl) ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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