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

Systemtic Name: (4-phenylmethoxyphenyl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-benzyloxyphenyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-benzoxyphenyl) ester Formula: C24H22N2O6 MolecularWeight: 434.44128

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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)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O6/c27-24(22-16-19(26(28)29)6-11-23(22)25-12-14-30-15-13-25)32-21-9-7-20(8-10-21)31-17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2