[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[ethyl-(3-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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