[4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(2-phenyl-1,3-benzoxazol-5-yl)iminomethyl]phenyl] ester Formula: C27H17BrN2O3 MolecularWeight: 497.33948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C27H17BrN2O3/c28-21-8-4-7-20(15-21)27(31)32-23-12-9-18(10-13-23)17-29-22-11-14-25-24(16-22)30-26(33-25)19-5-2-1-3-6-19/h1-17H