4-[2-cyanoethyl(methyl)amino]-3-fluoranyl-benzoate

Systemtic Name: 4-[2-cyanoethyl(methyl)amino]-3-fluoranyl-benzoate Openeye Name: 4-[2-cyanoethyl(methyl)amino]-3-fluoro-benzoate CAS Name: 4-[2-cyanoethyl(methyl)amino]-3-fluorobenzoate IUPAC Name: 4-[2-cyanoethyl(methyl)amino]-3-fluorobenzoate Traditional Name: 4-[2-cyanoethyl(methyl)amino]-3-fluoro-benzoate Formula: C11H10FN2O2- MolecularWeight: 221.207703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=C(C=C1)C(=O)[O-])F

Isomeric SMILES

CN(CCC#N)C1=C(C=C(C=C1)C(=O)[O-])F

InChI

InChI=1S/C11H11FN2O2/c1-14(6-2-5-13)10-4-3-8(11(15)16)7-9(10)12/h3-4,7H,2,6H2,1H3,(H,15,16)/p-1