(2S,5S)-2-tert-butyl-5-[(5-chloranyl-2-nitro-phenyl)methyl]-5-phenyl-1,3-dioxolan-4-one

Systemtic Name: (2S,5S)-2-tert-butyl-5-[(5-chloranyl-2-nitro-phenyl)methyl]-5-phenyl-1,3-dioxolan-4-one Openeye Name: (2S,5S)-2-tert-butyl-5-[(5-chloro-2-nitro-phenyl)methyl]-5-phenyl-1,3-dioxolan-4-one CAS Name: (2S,5S)-2-tert-butyl-5-[(5-chloro-2-nitrophenyl)methyl]-5-phenyl-1,3-dioxolan-4-one IUPAC Name: (2S,5S)-2-tert-butyl-5-[(5-chloro-2-nitrophenyl)methyl]-5-phenyl-1,3-dioxolan-4-one Traditional Name: (2S,5S)-2-tert-butyl-5-(5-chloro-2-nitro-benzyl)-5-phenyl-1,3-dioxolan-4-one Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1OC(=O)C(O1)(CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H]1OC(=O)[C@](O1)(CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO5/c1-19(2,3)18-26-17(23)20(27-18,14-7-5-4-6-8-14)12-13-11-15(21)9-10-16(13)22(24)25/h4-11,18H,12H2,1-3H3/t18-,20+/m1/s1