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

Systemtic Name: (4-cyanophenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N3O5/c20-12-14-1-3-15(4-2-14)13-27-19(23)17-11-16(22(24)25)5-6-18(17)21-7-9-26-10-8-21/h1-6,11H,7-10,13H2