(4-phenethyloxycarbonylphenyl) 4-nitrobenzoate

Systemtic Name: (4-phenethyloxycarbonylphenyl) 4-nitrobenzoate Openeye Name: (4-phenethyloxycarbonylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (4-phenethyloxycarbonylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-phenethyloxycarbonylphenyl) ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17NO6/c24-21(28-15-14-16-4-2-1-3-5-16)17-8-12-20(13-9-17)29-22(25)18-6-10-19(11-7-18)23(26)27/h1-13H,14-15H2