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

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 2-nitrobenzoate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-nitrobenzoate Traditional Name: 2-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=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

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