[4-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] benzoate

Systemtic Name: [4-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] benzoate Openeye Name: [4-[3-(4-bromo-2-fluoro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [4-[3-(4-bromo-2-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[3-(4-bromo-2-fluoroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [4-[3-(4-bromo-2-fluoro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C23H14BrFN2O3 MolecularWeight: 465.271263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C23H14BrFN2O3/c24-18-8-11-21(20(25)13-18)27-22(28)17(14-26)12-15-6-9-19(10-7-15)30-23(29)16-4-2-1-3-5-16/h1-13H,(H,27,28)