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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)17-6-4-16(5-7-17)15-29-21(25)19-14-18(24(26)27)8-9-20(19)23-10-12-28-13-11-23/h4-9,14H,10-13,15H2,1-3H3