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

Systemtic Name: (3-cyanophenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (3-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=CC(=C3)C#N

Isomeric SMILES

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

InChI

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