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

Systemtic Name: (4-tert-butylphenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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