[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H25NO6/c1-26(2,3)21-10-14-23(15-11-21)32-16-18-4-6-20(7-5-18)25(29)33-17-24(28)19-8-12-22(13-9-19)27(30)31/h4-15H,16-17H2,1-3H3