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

Systemtic Name: ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-4-phenyl-butanoate Openeye Name: ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-4-phenyl-butanoate CAS Name: (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-4-phenylbutanoate Traditional Name: (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-nitro-4-phenyl-butyric acid ethyl ester Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1COC(O1)(C)C)C(C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO6/c1-4-22-15(19)10-13(14-11-23-17(2,3)24-14)16(18(20)21)12-8-6-5-7-9-12/h5-9,13-14,16H,4,10-11H2,1-3H3/t13-,14-,16?/m1/s1