[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 4-nitrobenzoate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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