[2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 4-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-3-(phenethylcarbamoyl)chromen-7-yl] 4-bromanylbenzoate Openeye Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-3-[oxo-(phenethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(phenethylcarbamoyl)chromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-3-(phenethylcarbamoyl)chromen-7-yl] ester Formula: C25H18BrNO5 MolecularWeight: 492.31812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)OC2=O

InChI

InChI=1S/C25H18BrNO5/c26-19-9-6-17(7-10-19)24(29)31-20-11-8-18-14-21(25(30)32-22(18)15-20)23(28)27-13-12-16-4-2-1-3-5-16/h1-11,14-15H,12-13H2,(H,27,28)