(4-cyanophenyl) 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (4-cyanophenyl) 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (4-cyanophenyl) 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (4-cyanophenyl) ester Formula: C17H15N3O5 MolecularWeight: 341.3181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H15N3O5/c1-24-9-8-19-16-7-4-13(20(22)23)10-15(16)17(21)25-14-5-2-12(11-18)3-6-14/h2-7,10,19H,8-9H2,1H3