[2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-chloranylbenzoate

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-chloranylbenzoate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-oxo-3-[oxo-(2-oxolanylmethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C22H18ClNO6 MolecularWeight: 427.83442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC=C4)Cl)OC2=O

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC=C4)Cl)OC2=O

InChI

InChI=1S/C22H18ClNO6/c23-15-4-1-3-14(9-15)21(26)29-16-7-6-13-10-18(22(27)30-19(13)11-16)20(25)24-12-17-5-2-8-28-17/h1,3-4,6-7,9-11,17H,2,5,8,12H2,(H,24,25)