(E)-4-[4-methoxy-2-(2-nitroethyl)-5-phenylmethoxy-phenyl]-2-methyl-but-3-en-2-ol

Systemtic Name: (E)-4-[4-methoxy-2-(2-nitroethyl)-5-phenylmethoxy-phenyl]-2-methyl-but-3-en-2-ol Openeye Name: (E)-4-[5-benzyloxy-4-methoxy-2-(2-nitroethyl)phenyl]-2-methyl-but-3-en-2-ol CAS Name: (E)-4-[4-methoxy-2-(2-nitroethyl)-5-phenylmethoxyphenyl]-2-methyl-3-buten-2-ol IUPAC Name: (E)-4-[4-methoxy-2-(2-nitroethyl)-5-phenylmethoxyphenyl]-2-methylbut-3-en-2-ol Traditional Name: (E)-4-[5-benzoxy-4-methoxy-2-(2-nitroethyl)phenyl]-2-methyl-but-3-en-2-ol Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=CC(=C(C=C1CC[N+](=O)[O-])OC)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(/C=C/C1=CC(=C(C=C1CC[N+](=O)[O-])OC)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H25NO5/c1-21(2,23)11-9-17-14-20(27-15-16-7-5-4-6-8-16)19(26-3)13-18(17)10-12-22(24)25/h4-9,11,13-14,23H,10,12,15H2,1-3H3/b11-9+