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

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H20FN3O5 MolecularWeight: 401.388303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O5/c1-2-23(16-8-4-14(21)5-9-16)19(25)12-29-20(26)13-3-10-17(22-15-6-7-15)18(11-13)24(27)28/h3-5,8-11,15,22H,2,6-7,12H2,1H3