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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C18H15FN4O5 MolecularWeight: 386.333903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F

InChI

InChI=1S/C18H15FN4O5/c19-13-4-1-2-5-15(13)22(9-3-8-20)17(24)11-28-18(25)12-6-7-14(21)16(10-12)23(26)27/h1-2,4-7,10H,3,9,11,21H2