(2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 4-methoxy-3-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 4-methoxy-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-1-phenyl-ethyl) 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (2-keto-2-morpholino-1-phenyl-ethyl) ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-27-17-8-7-15(13-16(17)22(25)26)20(24)29-18(14-5-3-2-4-6-14)19(23)21-9-11-28-12-10-21/h2-8,13,18H,9-12H2,1H3