[(1S)-2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-(2-chloranyl-6-nitro-phenoxy)benzoate

Systemtic Name: [(1S)-2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 4-(2-chloranyl-6-nitro-phenoxy)benzoate Openeye Name: [(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenyl-ethyl] 4-(2-chloro-6-nitro-phenoxy)benzoate CAS Name: 4-(2-chloro-6-nitrophenoxy)benzoic acid [(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-(2-chloro-6-nitrophenoxy)benzoate Traditional Name: 4-(2-chloro-6-nitro-phenoxy)benzoic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-phenyl-ethyl] ester Formula: C28H20ClNO7 MolecularWeight: 517.9139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H20ClNO7/c1-35-21-14-10-18(11-15-21)25(31)26(19-6-3-2-4-7-19)37-28(32)20-12-16-22(17-13-20)36-27-23(29)8-5-9-24(27)30(33)34/h2-17,26H,1H3/t26-/m0/s1