(4S)-2,2-dimethyl-4-[(E)-2-nitro-4-phenylmethoxy-but-1-enyl]-1,3-dioxolane

Systemtic Name: (4S)-2,2-dimethyl-4-[(E)-2-nitro-4-phenylmethoxy-but-1-enyl]-1,3-dioxolane Openeye Name: (4S)-4-[(E)-4-benzyloxy-2-nitro-but-1-enyl]-2,2-dimethyl-1,3-dioxolane CAS Name: (4S)-2,2-dimethyl-4-[(E)-2-nitro-4-phenylmethoxybut-1-enyl]-1,3-dioxolane IUPAC Name: (4S)-2,2-dimethyl-4-[(E)-2-nitro-4-phenylmethoxybut-1-enyl]-1,3-dioxolane Traditional Name: (4S)-4-[(E)-4-benzoxy-2-nitro-but-1-enyl]-2,2-dimethyl-1,3-dioxolane Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C=C(CCOCC2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(OC[C@@H](O1)/C=C(\CCOCC2=CC=CC=C2)/[N+](=O)[O-])C

InChI

InChI=1S/C16H21NO5/c1-16(2)21-12-15(22-16)10-14(17(18)19)8-9-20-11-13-6-4-3-5-7-13/h3-7,10,15H,8-9,11-12H2,1-2H3/b14-10+/t15-/m0/s1