1-[[(1R,2S)-2-(2-methoxyethoxymethoxy)-1-phenyl-but-3-enoxy]methyl]-4-nitro-benzene

Systemtic Name: 1-[[(1R,2S)-2-(2-methoxyethoxymethoxy)-1-phenyl-but-3-enoxy]methyl]-4-nitro-benzene Openeye Name: 1-[[(1R,2S)-2-(2-methoxyethoxymethoxy)-1-phenyl-but-3-enoxy]methyl]-4-nitro-benzene CAS Name: 1-[[(1R,2S)-2-(2-methoxyethoxymethoxy)-1-phenylbut-3-enoxy]methyl]-4-nitrobenzene IUPAC Name: 1-[[(1R,2S)-2-(2-methoxyethoxymethoxy)-1-phenylbut-3-enoxy]methyl]-4-nitrobenzene Traditional Name: 1-[[(1R,2S)-2-(2-methoxyethoxymethoxy)-1-phenyl-but-3-enoxy]methyl]-4-nitro-benzene Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC(C=C)C(C1=CC=CC=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCCOCO[C@@H](C=C)[C@@H](C1=CC=CC=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO6/c1-3-20(28-16-26-14-13-25-2)21(18-7-5-4-6-8-18)27-15-17-9-11-19(12-10-17)22(23)24/h3-12,20-21H,1,13-16H2,2H3/t20-,21+/m0/s1