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

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)OC1=O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)OC1=O

InChI

InChI=1S/C21H18BrNO5/c1-12(2)11-23-19(24)17-9-14-5-8-16(10-18(14)28-21(17)26)27-20(25)13-3-6-15(22)7-4-13/h3-10,12H,11H2,1-2H3,(H,23,24)