[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H16FNO5 MolecularWeight: 333.311043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)F)OC

InChI

InChI=1S/C17H16FNO5/c1-22-14-7-6-13(9-15(14)23-2)19-16(20)10-24-17(21)11-4-3-5-12(18)8-11/h3-9H,10H2,1-2H3,(H,19,20)