[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-bromanylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18BrNO5/c1-15(16-5-3-2-4-6-16)27-23(28)21-13-18-9-12-20(14-22(18)32-25(21)30)31-24(29)17-7-10-19(26)11-8-17/h2-15H,1H3,(H,27,28)