[3-[3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-fluoranylbenzoate

Systemtic Name: [3-[3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-fluoranylbenzoate Openeye Name: [3-[3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [3-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [3-[3-(4-bromoanilino)-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(=CC(=C1)OC(=O)C2=CC(=CC=C2)F)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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