[(1R)-1-cyanoethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O[C@H](C)C#N)OC

InChI

InChI=1S/C13H14N2O6/c1-4-20-12-6-10(15(17)18)9(5-11(12)19-3)13(16)21-8(2)7-14/h5-6,8H,4H2,1-3H3/t8-/m1/s1