2-[[3-(4-methylphenyl)-2-nitro-1-benzofuran-5-yl]methyl]propane-1,3-diol

Systemtic Name: 2-[[3-(4-methylphenyl)-2-nitro-1-benzofuran-5-yl]methyl]propane-1,3-diol Openeye Name: 2-[[2-nitro-3-(p-tolyl)benzofuran-5-yl]methyl]propane-1,3-diol CAS Name: 2-[[3-(4-methylphenyl)-2-nitro-5-benzofuranyl]methyl]propane-1,3-diol IUPAC Name: 2-[[3-(4-methylphenyl)-2-nitro-1-benzofuran-5-yl]methyl]propane-1,3-diol Traditional Name: 2-[[2-nitro-3-(p-tolyl)benzofuran-5-yl]methyl]propane-1,3-diol Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)CC(CO)CO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)CC(CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO5/c1-12-2-5-15(6-3-12)18-16-9-13(8-14(10-21)11-22)4-7-17(16)25-19(18)20(23)24/h2-7,9,14,21-22H,8,10-11H2,1H3