[(Z,3R,4S)-4-(4-nitrophenyl)-4-oxidanyl-3-phenyl-but-1-enyl] benzoate

Systemtic Name: [(Z,3R,4S)-4-(4-nitrophenyl)-4-oxidanyl-3-phenyl-but-1-enyl] benzoate Openeye Name: [(Z,3R,4S)-4-hydroxy-4-(4-nitrophenyl)-3-phenyl-but-1-enyl] benzoate CAS Name: benzoic acid [(Z,3R,4S)-4-hydroxy-4-(4-nitrophenyl)-3-phenylbut-1-enyl] ester IUPAC Name: [(Z,3R,4S)-4-hydroxy-4-(4-nitrophenyl)-3-phenylbut-1-enyl] benzoate Traditional Name: benzoic acid [(Z,3R,4S)-4-hydroxy-4-(4-nitrophenyl)-3-phenyl-but-1-enyl] ester Formula: C23H19NO5 MolecularWeight: 389.40066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](/C=C\OC(=O)C2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H19NO5/c25-22(18-11-13-20(14-12-18)24(27)28)21(17-7-3-1-4-8-17)15-16-29-23(26)19-9-5-2-6-10-19/h1-16,21-22,25H/b16-15-/t21-,22-/m1/s1