(4-cyanophenyl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-cyanophenyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-cyanophenyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-cyanophenyl) ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N3O5/c19-12-13-1-4-15(5-2-13)26-18(22)16-11-14(21(23)24)3-6-17(16)20-7-9-25-10-8-20/h1-6,11H,7-10H2