[(Z,1R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenyl-but-3-enyl] 4-nitrobenzoate

Systemtic Name: [(Z,1R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenyl-but-3-enyl] 4-nitrobenzoate Openeye Name: [(Z,1R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenyl-but-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z,1R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylbut-3-enyl] ester IUPAC Name: [(Z,1R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylbut-3-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z,1R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenyl-but-3-enyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C=CCC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(OC[C@@H](O1)/C=C\C[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H23NO6/c1-22(2)27-15-19(29-22)9-6-10-20(16-7-4-3-5-8-16)28-21(24)17-11-13-18(14-12-17)23(25)26/h3-9,11-14,19-20H,10,15H2,1-2H3/b9-6-/t19-,20+/m0/s1