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

Systemtic Name: (3-cyanophenyl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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)C(=O)OCC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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