cyanomethyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: cyanomethyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: cyanomethyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid cyanomethyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N

InChI

InChI=1S/C13H13N3O5/c14-3-6-21-13(17)11-9-10(16(18)19)1-2-12(11)15-4-7-20-8-5-15/h1-2,9H,4-8H2