[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H20FN3O6 MolecularWeight: 417.387703

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O6/c21-16-4-1-14(2-5-16)12-22-19(25)13-30-20(26)15-3-6-17(18(11-15)24(27)28)23-7-9-29-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,25)