[2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]-2-keto-ethyl] ester Formula: C23H26FN3O7 MolecularWeight: 475.466843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O7/c1-3-25(14-16-4-7-21(32-2)18(24)12-16)22(28)15-34-23(29)17-5-6-19(20(13-17)27(30)31)26-8-10-33-11-9-26/h4-7,12-13H,3,8-11,14-15H2,1-2H3