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

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-bromanylbenzoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2-bromobenzoate Traditional Name: 2-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=CC=C3Br)OC1=O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3Br)OC1=O

InChI

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