(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H12BrN3O4 MolecularWeight: 414.20958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H12BrN3O4/c1-10-13-8-11(19)6-7-15(13)26-16(10)18(24)25-9-22-17(23)12-4-2-3-5-14(12)20-21-22/h2-8H,9H2,1H3