[(1R)-1-cyanoethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5/c1-3-18-11-5-4-9(6-10(11)14(16)17)12(15)19-8(2)7-13/h4-6,8H,3H2,1-2H3/t8-/m1/s1