1-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C20H18BrN3O4 MolecularWeight: 444.27862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C3C(=CC(=C2)Br)CO[C@@H](O3)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O4/c1-12-18(24(25)26)13(2)23(22-12)10-15-8-17(21)9-16-11-27-20(28-19(15)16)14-6-4-3-5-7-14/h3-9,20H,10-11H2,1-2H3/t20-/m0/s1