ethyl (2R,3R)-2-cyano-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate

Systemtic Name: ethyl (2R,3R)-2-cyano-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate Openeye Name: ethyl (2R,3R)-2-cyano-3-(3,4-dimethoxyphenyl)-4-nitro-butanoate CAS Name: (2R,3R)-2-cyano-3-(3,4-dimethoxyphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-cyano-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate Traditional Name: (2R,3R)-2-cyano-3-(3,4-dimethoxyphenyl)-4-nitro-butyric acid ethyl ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6/c1-4-23-15(18)11(8-16)12(9-17(19)20)10-5-6-13(21-2)14(7-10)22-3/h5-7,11-12H,4,9H2,1-3H3/t11-,12-/m0/s1