(3-methylphenyl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3-methylphenyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: m-tolyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid m-tolyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-13-3-2-4-15(11-13)25-18(21)16-12-14(20(22)23)5-6-17(16)19-7-9-24-10-8-19/h2-6,11-12H,7-10H2,1H3