ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-pentanoate

Systemtic Name: ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-pentanoate Openeye Name: ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-pentanoate CAS Name: (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitropentanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitropentanoate Traditional Name: (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-valeric acid ethyl ester Formula: C12H21NO6 MolecularWeight: 275.29824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1COC(O1)(C)C)C(C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[C@H]([C@H]1COC(O1)(C)C)C(C)[N+](=O)[O-]

InChI

InChI=1S/C12H21NO6/c1-5-17-11(14)6-9(8(2)13(15)16)10-7-18-12(3,4)19-10/h8-10H,5-7H2,1-4H3/t8?,9-,10+/m0/s1