[1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [1-(4-tert-butylphenoxy)-3-morpholin-4-yl-propan-2-yl] 3,5-dinitrobenzoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [1-(4-tert-butylphenoxy)-3-(4-morpholinyl)propan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-morpholin-4-ylpropan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [1-[(4-tert-butylphenoxy)methyl]-2-morpholino-ethyl] ester Formula: C24H29N3O8 MolecularWeight: 487.50236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCOCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCOCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O8/c1-24(2,3)18-4-6-21(7-5-18)34-16-22(15-25-8-10-33-11-9-25)35-23(28)17-12-19(26(29)30)14-20(13-17)27(31)32/h4-7,12-14,22H,8-11,15-16H2,1-3H3