(1S,2S)-2-[(4-dimethylaminophenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: (1S,2S)-2-[(4-dimethylaminophenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: (1S,2S)-2-[(4-dimethylaminophenyl)methyleneamino]-1-(4-nitrophenyl)propane-1,3-diol CAS Name: (1S,2S)-2-[(4-dimethylaminophenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: (1S,2S)-2-[(4-dimethylaminophenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: (1S,2S)-2-[[4-(dimethylamino)benzylidene]amino]-1-(4-nitrophenyl)propane-1,3-diol Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C=N[C@@H](CO)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H21N3O4/c1-20(2)15-7-3-13(4-8-15)11-19-17(12-22)18(23)14-5-9-16(10-6-14)21(24)25/h3-11,17-18,22-23H,12H2,1-2H3/t17-,18-/m0/s1