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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-fluoranylbenzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H16FN3O3 MolecularWeight: 377.368443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H16FN3O3/c22-16-6-4-5-15(13-16)21(27)28-14-20(26)23-17-9-11-19(12-10-17)25-24-18-7-2-1-3-8-18/h1-13H,14H2,(H,23,26)