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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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