(4-tert-butyl-2-methyl-phenyl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-15-13-16(22(2,3)4)5-8-20(15)29-21(25)18-14-17(24(26)27)6-7-19(18)23-9-11-28-12-10-23/h5-8,13-14H,9-12H2,1-4H3