(3,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (3,5-dimethylbenzyl) ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-14-9-15(2)11-16(10-14)13-27-20(23)18-12-17(22(24)25)3-4-19(18)21-5-7-26-8-6-21/h3-4,9-12H,5-8,13H2,1-2H3