(4-phenethyloxycarbonylphenyl) 3-nitrobenzoate

Systemtic Name: (4-phenethyloxycarbonylphenyl) 3-nitrobenzoate Openeye Name: (4-phenethyloxycarbonylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (4-phenethyloxycarbonylphenyl) 3-nitrobenzoate Traditional Name: 3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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