ethyl 3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoyloxymethyl]coumarilic acid ethyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H19N3O6/c1-2-29-22(28)20-16(14-7-4-6-10-18(14)31-20)13-30-19(26)11-12-25-21(27)15-8-3-5-9-17(15)23-24-25/h3-10H,2,11-13H2,1H3