(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H15N3O5/c1-13(25)14-6-8-15(9-7-14)18-10-11-19(29-18)21(27)28-12-24-20(26)16-4-2-3-5-17(16)22-23-24/h2-11H,12H2,1H3