4-[(1S,2R)-1-cyano-2-(4,5-dimethoxy-2-nitro-phenyl)-2-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 4-[(1S,2R)-1-cyano-2-(4,5-dimethoxy-2-nitro-phenyl)-2-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 4-[(1S,2R)-1-cyano-2-(4,5-dimethoxy-2-nitro-phenyl)-2-hydroxy-ethyl]benzonitrile CAS Name: 4-[(1S,2R)-1-cyano-2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyethyl]benzonitrile IUPAC Name: 4-[(1S,2R)-1-cyano-2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyethyl]benzonitrile Traditional Name: 4-[(1S,2R)-1-cyano-2-(4,5-dimethoxy-2-nitro-phenyl)-2-hydroxy-ethyl]benzonitrile Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c1-25-16-7-13(15(21(23)24)8-17(16)26-2)18(22)14(10-20)12-5-3-11(9-19)4-6-12/h3-8,14,18,22H,1-2H3/t14-,18+/m1/s1