(4-tert-butylphenyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-tert-butylphenyl) ester Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-21(2,3)16-5-7-17(8-6-16)28-20(24)15-4-9-18(19(14-15)23(25)26)22-10-12-27-13-11-22/h4-9,14H,10-13H2,1-3H3