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

Systemtic Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(2-furylmethylcarbamoyl)-2-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-[(2-furanylmethylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(2-furfurylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C22H14BrNO6 MolecularWeight: 468.25366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14BrNO6/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/h1-11H,12H2,(H,24,25)