[4-[(E)-(5-oxidanylidene-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-(5-oxidanylidene-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-(5-oxo-3-phenyl-isoxazol-4-ylidene)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-(5-oxo-3-phenyl-4-isoxazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-(5-keto-3-phenyl-2-isoxazolin-4-ylidene)methyl]phenyl] ester Formula: C23H14BrNO4 MolecularWeight: 448.26556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=O)C2=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C\2=NOC(=O)/C2=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H14BrNO4/c24-18-10-8-17(9-11-18)22(26)28-19-12-6-15(7-13-19)14-20-21(25-29-23(20)27)16-4-2-1-3-5-16/h1-14H/b20-14+