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

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

Isomeric SMILES

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

InChI

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