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

Systemtic Name: [3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(3-methoxypropylcarbamoyl)-2-oxo-chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-[(3-methoxypropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-3-(3-methoxypropylcarbamoyl)chromen-7-yl] ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO6/c1-27-10-2-9-23-19(24)17-11-14-5-8-16(12-18(14)29-21(17)26)28-20(25)13-3-6-15(22)7-4-13/h3-8,11-12H,2,9-10H2,1H3,(H,23,24)