[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14FN3O5 MolecularWeight: 371.319263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)F

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)F

InChI

InChI=1S/C18H14FN3O5/c19-14-4-1-12(2-5-14)3-8-18(24)27-11-17(23)21-16-7-6-15(22(25)26)9-13(16)10-20/h1-2,4-7,9H,3,8,11H2,(H,21,23)