(4-cyano-2-methoxy-phenyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c1-26-18-10-13(12-20)2-5-17(18)28-19(23)14-3-4-15(16(11-14)22(24)25)21-6-8-27-9-7-21/h2-5,10-11H,6-9H2,1H3