2-(2,6-dimethylphenoxy)ethyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H24N2O6/c1-15-4-3-5-16(2)20(15)28-12-13-29-21(24)18-14-17(23(25)26)6-7-19(18)22-8-10-27-11-9-22/h3-7,14H,8-13H2,1-2H3