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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-14-3-6-19(26-2)15(11-14)13-28-20(23)17-12-16(22(24)25)4-5-18(17)21-7-9-27-10-8-21/h3-6,11-12H,7-10,13H2,1-2H3