ethyl (4R,5S)-2,2-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-1,3-dioxolane-4-carboxylate

Systemtic Name: ethyl (4R,5S)-2,2-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-1,3-dioxolane-4-carboxylate Openeye Name: ethyl (4R,5S)-2,2-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-1,3-dioxolane-4-carboxylate CAS Name: (4R,5S)-2,2-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-1,3-dioxolane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-2,2-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-1,3-dioxolane-4-carboxylate Traditional Name: (4R,5S)-2,2-dimethyl-5-(6-nitro-1,3-benzodioxol-5-yl)-1,3-dioxolane-4-carboxylic acid ethyl ester Formula: C15H17NO8 MolecularWeight: 339.29738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(OC(O1)(C)C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](OC(O1)(C)C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H17NO8/c1-4-20-14(17)13-12(23-15(2,3)24-13)8-5-10-11(22-7-21-10)6-9(8)16(18)19/h5-6,12-13H,4,7H2,1-3H3/t12-,13+/m0/s1