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

Systemtic Name: cyanomethyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: cyanomethyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid cyanomethyl ester Formula: C12H13N3O5 MolecularWeight: 279.24872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC#N

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC#N

InChI

InChI=1S/C12H13N3O5/c1-19-7-5-14-11-3-2-9(15(17)18)8-10(11)12(16)20-6-4-13/h2-3,8,14H,5-7H2,1H3