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

Systemtic Name: [2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-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] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]-2-keto-ethyl] ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O6/c1-4-22(11-14-5-8-18(28-3)16(21)10-14)19(24)12-29-20(25)15-6-7-17(23(26)27)13(2)9-15/h5-10H,4,11-12H2,1-3H3