[(3S)-3-(2-ethoxyphenoxy)-2-oxidanyl-3-phenyl-propyl] 4-nitrobenzoate

Systemtic Name: [(3S)-3-(2-ethoxyphenoxy)-2-oxidanyl-3-phenyl-propyl] 4-nitrobenzoate Openeye Name: [(3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl] ester IUPAC Name: [(3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-3-(2-ethoxyphenoxy)-2-hydroxy-3-phenyl-propyl] ester Formula: C24H23NO7 MolecularWeight: 437.44192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(C2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=CC=C1O[C@@H](C2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C24H23NO7/c1-2-30-21-10-6-7-11-22(21)32-23(17-8-4-3-5-9-17)20(26)16-31-24(27)18-12-14-19(15-13-18)25(28)29/h3-15,20,23,26H,2,16H2,1H3/t20?,23-/m0/s1