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

Systemtic Name: [(1R)-1-cyanoethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C14H15N3O5 MolecularWeight: 305.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c1-10(9-15)22-14(18)11-2-3-12(13(8-11)17(19)20)16-4-6-21-7-5-16/h2-3,8,10H,4-7H2,1H3/t10-/m1/s1