4-[(2S)-3-(4-methoxy-2-nitro-phenoxy)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-(4-methoxy-2-nitro-phenoxy)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-(4-methoxy-2-nitro-phenoxy)propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(4-methoxy-2-nitrophenoxy)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(4-methoxy-2-nitrophenoxy)propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(4-methoxy-2-nitro-phenoxy)propoxy]benzonitrile Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(COC2=CC=C(C=C2)C#N)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@H](COC2=CC=C(C=C2)C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-23-15-6-7-17(16(8-15)19(21)22)25-11-13(20)10-24-14-4-2-12(9-18)3-5-14/h2-8,13,20H,10-11H2,1H3/t13-/m0/s1