[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)F

InChI

InChI=1S/C22H18FN3O4/c1-29-18-11-12-19(20(23)13-18)22(28)30-14-21(27)24-15-7-9-17(10-8-15)26-25-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,27)