methyl 4-[(2S,4R)-2-tert-butyl-5-oxidanylidene-4-phenyl-1,3-dioxolan-4-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(2S,4R)-2-tert-butyl-5-oxidanylidene-4-phenyl-1,3-dioxolan-4-yl]-3-nitro-benzoate Openeye Name: methyl 4-[(2S,4R)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-3-nitro-benzoate CAS Name: 4-[(2S,4R)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2S,4R)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-3-nitrobenzoate Traditional Name: 4-[(2S,4R)-2-tert-butyl-5-keto-4-phenyl-1,3-dioxolan-4-yl]-3-nitro-benzoic acid methyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-20(2,3)19-28-18(24)21(29-19,14-8-6-5-7-9-14)15-11-10-13(17(23)27-4)12-16(15)22(25)26/h5-12,19H,1-4H3/t19-,21-/m1/s1