(3-phenethyloxycarbonylphenyl) 3-nitrobenzoate

Systemtic Name: (3-phenethyloxycarbonylphenyl) 3-nitrobenzoate Openeye Name: (3-phenethyloxycarbonylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (3-phenethyloxycarbonylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (3-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(=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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