[1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C22H24FN3O6 MolecularWeight: 445.440863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24FN3O6/c1-15(21(27)24(2)14-16-4-3-5-18(23)12-16)32-22(28)17-6-7-19(20(13-17)26(29)30)25-8-10-31-11-9-25/h3-7,12-13,15H,8-11,14H2,1-2H3