(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethylbenzofuran-3-yl)acetate CAS Name: 2-(6-ethyl-3-benzofuranyl)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-ethylbenzofuran-3-yl)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N3O4/c1-2-13-7-8-15-14(11-26-18(15)9-13)10-19(24)27-12-23-20(25)16-5-3-4-6-17(16)21-22-23/h3-9,11H,2,10,12H2,1H3