[(1R)-1-cyanoethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C13H15N3O5 MolecularWeight: 293.2753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c1-9(8-14)21-13(17)11-7-10(16(18)19)3-4-12(11)15-5-6-20-2/h3-4,7,9,15H,5-6H2,1-2H3/t9-/m1/s1