[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2,3,6-tris(chloranyl)benzoate

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2,3,6-tris(chloranyl)benzoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H16Cl3NO5 MolecularWeight: 468.71444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=C(C=CC(=C3Cl)Cl)Cl)OC1=O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=C(C=CC(=C3Cl)Cl)Cl)OC1=O

InChI

InChI=1S/C21H16Cl3NO5/c1-10(2)9-25-19(26)13-7-11-3-4-12(8-16(11)30-20(13)27)29-21(28)17-14(22)5-6-15(23)18(17)24/h3-8,10H,9H2,1-2H3,(H,25,26)