ethyl 5-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethoxy]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethoxy]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethoxy]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxoethoxy]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-keto-ethoxy]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C21H18ClNO7 MolecularWeight: 431.82312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NC3=CC4=C(C=C3Cl)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NC3=CC4=C(C=C3Cl)OCO4)C

InChI

InChI=1S/C21H18ClNO7/c1-3-26-21(25)20-11(2)30-16-5-4-12(6-13(16)20)27-9-19(24)23-15-8-18-17(7-14(15)22)28-10-29-18/h4-8H,3,9-10H2,1-2H3,(H,23,24)