(1S,2S)-2-(4-ethyl-2-methyl-3-propyl-pyrrol-1-yl)-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: (1S,2S)-2-(4-ethyl-2-methyl-3-propyl-pyrrol-1-yl)-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: (1S,2S)-2-(4-ethyl-2-methyl-3-propyl-pyrrol-1-yl)-1-(4-nitrophenyl)propane-1,3-diol CAS Name: (1S,2S)-2-(4-ethyl-2-methyl-3-propyl-1-pyrrolyl)-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: (1S,2S)-2-(4-ethyl-2-methyl-3-propylpyrrol-1-yl)-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: (1S,2S)-2-(4-ethyl-2-methyl-3-propyl-pyrrol-1-yl)-1-(4-nitrophenyl)propane-1,3-diol Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C=C1CC)C(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CCCC1=C(N(C=C1CC)[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C19H26N2O4/c1-4-6-17-13(3)20(11-14(17)5-2)18(12-22)19(23)15-7-9-16(10-8-15)21(24)25/h7-11,18-19,22-23H,4-6,12H2,1-3H3/t18-,19-/m0/s1