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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO5/c1-2-3-10-23-19(24)17-11-14-6-9-16(12-18(14)28-21(17)26)27-20(25)13-4-7-15(22)8-5-13/h4-9,11-12H,2-3,10H2,1H3,(H,23,24)