[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C17H13FN2O3 MolecularWeight: 312.295123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C17H13FN2O3/c18-15-7-3-13(4-8-15)10-20-16(21)11-23-17(22)14-5-1-12(9-19)2-6-14/h1-8H,10-11H2,(H,20,21)