[4-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H14BrFN2O3 MolecularWeight: 465.271263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)Br

InChI

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