cyanomethyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: cyanomethyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: cyanomethyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid cyanomethyl ester Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC#N

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC#N

InChI

InChI=1S/C11H11N3O4/c1-13(2)10-4-3-8(14(16)17)7-9(10)11(15)18-6-5-12/h3-4,7H,6H2,1-2H3