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

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 4-bromanylbenzoate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-3-[oxo-(2-oxolanylmethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C22H18BrNO6 MolecularWeight: 472.28542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)OC2=O

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)OC2=O

InChI

InChI=1S/C22H18BrNO6/c23-15-6-3-13(4-7-15)21(26)29-16-8-5-14-10-18(22(27)30-19(14)11-16)20(25)24-12-17-2-1-9-28-17/h3-8,10-11,17H,1-2,9,12H2,(H,24,25)