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

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C19H16FN3O5 MolecularWeight: 385.345843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O5/c1-13-11-14(7-8-16(13)23(26)27)19(25)28-12-18(24)22(10-4-9-21)17-6-3-2-5-15(17)20/h2-3,5-8,11H,4,10,12H2,1H3