(2R,3S)-2,3-dimethyl-3-[(1Z)-4-methylpenta-1,3-dienyl]-6-nitro-2H-1,4-benzodioxine

Systemtic Name: (2R,3S)-2,3-dimethyl-3-[(1Z)-4-methylpenta-1,3-dienyl]-6-nitro-2H-1,4-benzodioxine Openeye Name: (2R,3S)-2,3-dimethyl-3-[(1Z)-4-methylpenta-1,3-dienyl]-6-nitro-2H-1,4-benzodioxine CAS Name: (2R,3S)-2,3-dimethyl-3-[(1Z)-4-methylpenta-1,3-dienyl]-6-nitro-2H-1,4-benzodioxin IUPAC Name: (2R,3S)-2,3-dimethyl-3-[(1Z)-4-methylpenta-1,3-dienyl]-6-nitro-2H-1,4-benzodioxine Traditional Name: (2R,3S)-2,3-dimethyl-3-[(1Z)-4-methylpenta-1,3-dienyl]-6-nitro-2H-1,4-benzodioxin Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(O1)C=CC(=C2)[N+](=O)[O-])(C)C=CC=C(C)C

Isomeric SMILES

C[C@@H]1[C@](OC2=C(O1)C=CC(=C2)[N+](=O)[O-])(C)/C=C\C=C(C)C

InChI

InChI=1S/C16H19NO4/c1-11(2)6-5-9-16(4)12(3)20-14-8-7-13(17(18)19)10-15(14)21-16/h5-10,12H,1-4H3/b9-5-/t12-,16+/m1/s1